2-氨基-2-环丙基丙酸 | 5687-72-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氨基-2-环丙基丙酸
• 英文名称: 2-cyclopropylalanine
• 英文别名: cyclopropylalanine；2-amino-2-cyclopropyl-propionic acid；α-Amino-α-cyclopropyl-propionsaeure；2-Amino-2-cyclopropyl-propionsaeure；α-Cyclopropyl-alanin；2-azaniumyl-2-cyclopropylpropanoate
• CAS: 5687-72-9
• 化学式: C₆H₁₁NO₂
• mdl: MFCD00039430
• 分子量: 129.159
• InChiKey: VRFYYCFVOBCXDL-UHFFFAOYSA-N

物化性质

• 沸点：
  245.7±23.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Cyclopropylalanine
: CBR01846
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 129,16 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Cyclopropylalanine
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Cyclopropylalanine
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氨基-2-环丙基丙酸 在 吡啶 、 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 N²-<(R)-N²-acetyl-2-cyclopropylalanyl>-L-phenylalanine dimethylamide
  参考文献：
  名称：

  对映体纯的环状和开放链（R）-和（S）-α，α-二取代α-氨基酸的新通用方法

  摘要：

  制备了各种各样的环状和开链α，α-二取代的α-氨基酸1a-p。通过与衍生自（S）-苯丙氨酸的手性胺15-18偶联，拆分外消旋N-酰化的α，α-二取代氨基酸，形成非对映异构体19/20或21/22，可以通过结晶和/或快速色谱分离在硅胶上（方案3）。通过1,3-恶唑-5（4 H）-酮10a-p的选择性裂解以高收率得到相应的光学纯α，α-二取代氨基酸衍生物11或12（方案3）。α，α-二取代氨基酸的绝对构型由非对映异构体20、21g'，22d的X射线结构确定。

  DOI：

  10.1002/hlca.19920750522
• 作为产物：
  描述：

  5-环丙基-5-甲基咪唑烷-2,4-二酮 在 barium dihydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 以97%的产率得到2-氨基-2-环丙基丙酸
  参考文献：
  名称：

  对映体纯的环状和开放链（R）-和（S）-α，α-二取代α-氨基酸的新通用方法

  摘要：

  制备了各种各样的环状和开链α，α-二取代的α-氨基酸1a-p。通过与衍生自（S）-苯丙氨酸的手性胺15-18偶联，拆分外消旋N-酰化的α，α-二取代氨基酸，形成非对映异构体19/20或21/22，可以通过结晶和/或快速色谱分离在硅胶上（方案3）。通过1,3-恶唑-5（4 H）-酮10a-p的选择性裂解以高收率得到相应的光学纯α，α-二取代氨基酸衍生物11或12（方案3）。α，α-二取代氨基酸的绝对构型由非对映异构体20、21g'，22d的X射线结构确定。

  DOI：

  10.1002/hlca.19920750522

文献信息

• [EN] SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLO TRIAZINE CARBOXAMIDE SUBSTITUÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE LA PROSTAGLANDINE EP3
  申请人：BAYER AG

  公开号：WO2021094209A1

  公开（公告）日：2021-05-20

  The invention relates to substituted pyrrole triazine carboxamide derivatives of formula (I) and to processes for their preparation, and also /to their use for preparing medicaments for the treatment and/ or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and diabetes, and also urogenital and ophthalmic disorders.

  这项发明涉及式(I)的取代吡咯三嗪羧酰胺衍生物，以及它们的制备方法，还有用于制备治疗和/或预防疾病的药物，特别是心血管疾病，优选为血栓性或血栓栓塞性疾病，糖尿病，以及泌尿生殖和眼科疾病。
• X=Y-ZH Systems as potential 1.3-dipoles. part 16. cyclopropyl substituted azomethine ylides as mechanistic probes in 1.3-dipolar cycloaddition reactions
  作者：Ronald Grigg、P.Armstrong William

  DOI：10.1016/s0040-4020(01)85931-7

  日期：1988.1

  the 1,2-prototropic route and the decarboxylative route to azomethine ylides were studied with cyclopropyl substituents located on one or both carbon atoms of the azomethine ylides and in several instances in the dipolarophile. Cycloadducts were obtained in good yield with no evidence of biradical intermediates, i.e. no products arising from cyclopropyl radical ⇀ but-3-enyl radical rearrangements were

  用位于偶氮甲胺基团的一个或两个碳原子上的环丙基取代基和在偶极亲子基团中的几种情况下，研究了涉及1,2-质子化途径和脱羧途径的环加成反应。未获得双自由基中间体的证据，即获得了高收率的环戊二烯，即未检测到由环丙基自由基⇀But-3-enyl自由基重排产生的产物。
• IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Janssen Pharmaceutica, NV

  公开号：US20150166529A1

  公开（公告）日：2015-06-18

  The present invention is directed to imidazolin-5-one derivatives, pharmaceutical compositions containing them, and their use as FASN inhibitors, in for example, the treatment of cancer, obesity related disorders, and liver related disorders. Such compounds are represented by formula (I) as follows: wherein R 1 , R 2 , R 3 , R 4 , R 5 , m, n, and are defined herein.

  本发明涉及咪唑啉-5-酮衍生物，含有它们的药物组合物，以及它们作为FASN抑制剂的用途，例如用于治疗癌症、肥胖相关疾病和肝脏相关疾病。此类化合物由以下式子表示： 其中R1、R2、R3、R4、R5、m、n和在此处定义。
• Diagnostic and therapeutic agents
  申请人：Taube Seija

  公开号：US20070258899A1

  公开（公告）日：2007-11-08

  Tumor targeting units are disclosed which have a peptide sequence C y —Y—G-F—X—W-G-Z-C yy (SEQ ID NO: 25), or a pharmaceutically or physiologically acceptable salt thereof. Tumor targeting agents are also disclosed having at least one targeting unit, directly or indirectly coupled to at least one effector unit. Diagnostic or pharmaceutical compositions having at least one targeting unit or at least one targeting agent, and targeting units or targeting agents for the preparation of a medicament for the treatment of cancer related diseases (including cancer), especially for the treatment of colon/colorectal cancer or its metastases are also disclosed.

  揭示了具有肽序列Cy—Y—G-F—X—W-G-Z-Cyy（序列ID编号：25）或其药学或生理上可接受的盐的肿瘤靶向单元。还披露了具有至少一个靶向单元的肿瘤靶向剂，直接或间接地偶联至至少一个效应单元。还披露了具有至少一个靶向单元或至少一个靶向剂的诊断或药物组合物，以及用于制备治疗癌症相关疾病（包括癌症）的药物的靶向单元或靶向剂，特别是用于治疗结肠/结直肠癌或其转移的靶向单元或靶向剂。
• Pharmaceutical agents containing sulfonamids as matrix metalloproteinase inhibitors
  申请人：Roche Diagnostics GmbH

  公开号：EP0967201A1

  公开（公告）日：1999-12-29

  The invention concerns the use of sulfonamids of formula I as matrix metalloprotease (MMP) inhibitors wherein R1, X, R12, R13, R14 and R15 have the above stated meanings as well as their racemates, diastereomers, pharmacologically acceptable salts or prodrugs thereof, to produce pharmaceutical agents for the treatment of diseases where MMP activity is involved.

  本发明涉及使用I式磺酰胺作为基质金属蛋白酶（MMP）抑制剂，其中R1、X、R12、R13、R14和R15具有上述所述的含义，以及它们的外消旋体、对映异构体、药理学上可接受的盐或前药，以制备用于治疗涉及MMP活性的疾病的药物制剂。