3-氨基-1-苯氧基-2-丙醇盐酸盐 | 4287-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-氨基-1-苯氧基-2-丙醇盐酸盐
• 中文别名: 1-氨基-3-苯氧基-2-丙醇盐酸盐
• 英文名称: d,l-1-Phenoxy-2-hydroxy-3-aminopropane hydrochloride
• 英文别名: rac-1-amino-3-phenoxypropan-2-ol hydrochloride；1-amino-3-phenoxy-2-propanol hydrochloride；1-amino-3-phenoxypropan-2-ol hydrochloride；1-amino-3-phenoxy-propan-2-ol; hydrochloride；1-Amino-3-phenoxy-propan-2-ol; Hydrochlorid；1-amino-3-phenoxypropan-2-ol;hydrochloride
• CAS: 4287-20-1
• 化学式: C₉H₁₃NO₂*ClH
• 分子量: 203.669
• InChiKey: DLPNVEWPVBNLHE-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C
• 沸点：
  145-147℃
• 密度：
  1.1222 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

SDS

Name:	3-Amino-1-phenoxy-2-propanol hydrochloride 98% Material Safety Data Sheet
Synonym:	None
CAS:	4287-20-1

Section 1 - Chemical Product MSDS Name:3-Amino-1-phenoxy-2-propanol hydrochloride 98% Material Safety Data Sheet
Synonym:None

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4287-20-1	3-Amino-1-phenoxy-2-propanol hydrochlo	98	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Amines have been known to cause skin irritation and sensitization.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4287-20-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Flakes
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 145 - 147 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C9H13NO2.HCl
Molecular Weight: 203.67

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4287-20-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Amino-1-phenoxy-2-propanol hydrochloride - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 4287-20-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4287-20-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4287-20-1 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 3-氨基-1-苯氧基-2-丙醇盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 rac-1-(N-tert-Butoxycarbonylamino)-2-hydroxy-3-phenoxypropane
  参考文献：
  名称：

  Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use

  摘要：

  本申请涉及新型取代咪唑[1,2-a]吡啶-3-羧酰胺，其制备方法，单独或组合使用以治疗和/或预防疾病，以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。

  公开号：

  US20140128372A1
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 3-氨基-1-苯氧基-2-丙醇盐酸盐
  参考文献：
  名称：

  路易斯酸催化二苯甲酮亚胺与环氧化合物的加成反应能够选择性合成和衍生化伯1,2-氨基醇

  摘要：

  发现苯甲酮亚胺是一种有效的氨替代物，用于在催化Y（OTf）3存在下从环氧化物（包括对映体纯环氧氯丙烷）选择性制备伯1,2-氨基醇。高通量筛选48种Lewis酸可快速鉴定Y（OTf）3在温和条件下作为加成反应的有效介体。酸性水解后，伯氨基醇盐析出并分配到水溶液中，而二苯甲酮副产物可通过用乙酸乙酯简单萃取而轻易除去。这些铵盐可以直接受Boc保护，也可以进一步衍生，而无需在Schotten–Baumann型条件下分离形成苯甲酰胺和磺酰胺，三步分离产率高达79％。该方法学已用于制备关键中间体，用于合成具有高对映体纯度的PRMT5抑制剂以及许多其他酰胺和磺酰胺衍生物。

  DOI：

  10.1021/acs.oprd.8b00133

文献信息

• Ultra-short-acting .beta.-adrenergic receptor blocking agents. 1. (Aryloxy)propanolamines containing esters in the nitrogen substituent
  作者：Paul W. Erhardt、Chi M. Woo、Richard J. Gorczynski、William G. Anderson

  DOI：10.1021/jm00354a002

  日期：1982.12

  In an attempt to produce short-acting beta-adrenergic receptor blocking agents, we prepared several (aryloxy)propanolamines with ester functions incorporated into the nitrogen substituent. Many of these compounds exhibited a short duration of blocking activity after their continuous intravenous infusion for 40 min. However, their durations were found to increase considerably upon longer intravenous

  为了产生短效的β-肾上腺素受体阻断剂，我们制备了几种具有酯官能团的（芳氧基）丙醇胺并入氮取代基。这些化合物中的许多在连续静脉输注40分钟后显示出很短的阻断活性。然而，发现它们的持续时间随着更长的静脉内输注而显着增加。
• Compounds and method for treatment or prophylaxis of cardiac disorders
  申请人：American Hospital Supply Corporation

  公开号：US04450173A1

  公开（公告）日：1984-05-22

  A short-acting .beta.-blocking compound of the formula ##STR1## wherein Ar may be substituted or unsubstituted aromatic, Y may be a straight or branched carbon chain or aralkyl, R may be lower alkyl, lower alkenyl, lower alkynyl, aryl or aralkyl, and x is an integer from 1 to about 3; or a pharmaceutically acceptable salt thereof.

  一种短效β-阻滞化合物的化学式为##STR1##其中Ar可能是取代或未取代的芳香族，Y可能是直链或支链碳链或芳基烷基，R可能是低碳链基，低烯基，低炔基，芳基或芳基烷基，x为1到约3之间的整数；或其药用盐。
• NOVEL DIPEPTIDYL-PEPTIDASE-IV INHIBITORS
  申请人：Li Weixing

  公开号：US20130184322A1

  公开（公告）日：2013-07-18

  The invention comprises novel inhibitors of dipeptidyl peptidase IV (DPP-IV) with beta blocker activity, pharmaceutical compositions comprising therapeutically effective amounts of novel inhibitors of DPP-IV, and novel methods of treating medical conditions are provided. The novel inhibitors of DPP-IV described herein are useful in the treatment of neurological disorders, diabetes, inflammatory disorders such as arthritis, obesity, osteoporosis, hypertension, and glaucoma of such other enumerated conditions as can be treated with inhibitors of DPP-IV and beta blockers.

  该发明涉及一种具有β受体阻滞剂活性的新型二肽基肽酶IV（DPP-IV）抑制剂，其中包括含有治疗有效量的新型DPP-IV抑制剂的药物组合物，以及治疗医学状况的新型方法。本文所述的新型DPP-IV抑制剂对于治疗神经系统疾病、糖尿病、炎症性疾病如关节炎、肥胖症、骨质疏松症、高血压和青光眼等其他已知的可以使用DPP-IV抑制剂和β受体阻滞剂治疗的疾病具有用处。
• Aminoalcohol derivatives
  申请人：——

  公开号：US20040138462A1

  公开（公告）日：2004-07-15

  The present invention relates to a compound formula wherein R 1 is phenyl, pyridyl, etc., each of which may be substituted with one or two substituent(s); R 2 is hydrogen, an amino protective group, etc.; R 3 and R 4 are each independently hydrogen, lower alkyl or hydroxy(lower)alkyl; R 5 is aryl, ar(lower)alkyl, etc., each of which may be substituted with one, two or three substituent(s); R 8 is hydrogen or halogen, X is a single bond or O—CH 2 —, and n is 0, 1 or 2, or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of pollakiurea or urinary incontinence. 1

  本发明涉及一种化合物配方，其中R1是苯基，吡啶基等，每个基团可以用一个或两个取代基取代；R2是氢，氨基保护基等；R3和R4各自独立地是氢，低碳基或羟基（低）碳基；R5是芳基，芳（低）碳基等，每个基团可以用一个、两个或三个取代基取代；R8是氢或卤素，X是单键或O-CH2-，n为0、1或2，或其盐。本发明的化合物[I]及其药学上可接受的盐对预防和/或治疗多尿或尿失禁非常有用。
• Heterocyclic Mchr1 Antagonists And Their Use In Therapy
  申请人：Egner Bryan

  公开号：US20080306055A1

  公开（公告）日：2008-12-11

  Compounds of formula I depicted below, pharmaceutical compositions containing them, processes for preparing the compounds, and their use in the treatment of obesity, type II diabetes, metabolic syndrome, psychiatric disorders, cognitive disorders, memory disorders, schizophrenia, epilepsy and related conditions, neurological disorders such as dementia, multiple sclerosis, Parkinson's disease, Huntington's chorea and Alzheimer's disease, and pain related disorders. The compounds are melanin concentrating hormone receptor 1 (MCHr1) antagonists.

  以下为式I的化合物，含有它们的制药组合物，制备这些化合物的方法，以及它们在治疗肥胖症、2型糖尿病、代谢综合征、精神障碍、认知障碍、记忆障碍、精神分裂症、癫痫及相关疾病、神经疾病如痴呆、多发性硬化症、帕金森病、亨廷顿舞蹈症和阿尔茨海默病以及与疼痛有关的疾病中的使用。这些化合物是黑色素浓集激素受体1（MCHr1）拮抗剂。