1-溴-2,2-二甲氧基丙烷 | 126-38-5

• 物质功能分类: 化学试剂 - 有机试剂 - 卤代脂肪烃
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-溴-2,2-二甲氧基丙烷
• 英文名称: 1-bromo-2,2-dimethoxypropane
• CAS: 126-38-5
• 化学式: C₅H₁₁BrO₂
• mdl: MFCD00000208
• 分子量: 183.045
• InChiKey: SGTITUFGCGGICE-UHFFFAOYSA-N

物化性质

• 沸点：
  83-87 °C/80 mmHg (lit.)
• 密度：
  1.355 g/mL at 25 °C (lit.)
• 闪点：
  105 °F

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  3
• 危险品标志：
  Xi
• 安全说明：
  S16,S26,S28
• 危险类别码：
  R10,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2911000000
• 包装等级：
  III
• 危险品运输编号：
  UN 1993 3/PG 3
• 危险类别：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H225,H315,H319,H335
• 储存条件：
  flammable areas

SDS

Name:	1-Bromo-2 2-dimethoxypropane 97% Material Safety Data Sheet
Synonym:	Bromoacetone dimethyl keta
CAS:	126-38-5

Section 1 - Chemical Product MSDS Name:1-Bromo-2 2-dimethoxypropane 97% Material Safety Data Sheet
Synonym:Bromoacetone dimethyl keta

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
126-38-5	1-Bromo-2,2-dimethoxypropane	97	204-784-7

Hazard Symbols: XI
Risk Phrases: 10 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression.
Inhalation:
Causes respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. In case of fire, use carbon dioxide, dry chemical powder or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use only in a chemical fume hood. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Do not breathe vapor.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

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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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 126-38-5: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: clear light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 83.0 - 87.0 deg C @ 80.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 40 deg C ( 104.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.3550g/cm3
Molecular Formula: C5H11BrO2
Molecular Weight: 183.04

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 126-38-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Bromo-2,2-dimethoxypropane - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 126-38-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 126-38-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 126-38-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-溴-2,2-二甲氧基丙烷 在 盐酸 作用下， 反应 24.0h， 生成 溴丙酮
  参考文献：
  名称：

  The chlorination of acetone: a complete kinetic analysis

  摘要：

  给您翻译结果：报道了丙酮氯化过程中所有主要步骤的速率常数，包括氯化单氯丙酮和1,1-二氯丙酮、氢氧基丙酮的氯化、1,1-二羟基丙酮的氯化和氢氧化物催化的重排、三氯丙酮的卤仿裂解等。氢氧基丙酮和单氯丙酮的pK_a值已报道。报道了氯丙酮和1,1-二氯丙酮的水解速率常数；这些反应可能不是S_N2取代反应，而是通过氢氧化物的加成和分子内取代进行的。

  DOI：

  10.1139/v86-208
• 作为产物：
  描述：

  溴丙酮 、 原甲酸三甲酯 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以87.2%的产率得到1-溴-2,2-二甲氧基丙烷
  参考文献：
  名称：

  一种新的合成1-溴-2,2-二甲氧基丙烷的方法

  摘要：

  本发明属于生物医药中间体技术领域，提出了一种新的合成1‑溴‑2,2‑二甲氧基丙烷的方法，包括以下步骤：S1.溴化反应：将丙酮溶解在二氯甲烷中，预热至65℃，加入溴素，温度控制在65～75℃，反应11～13h，得到1‑溴丙酮；S2.上保护反应：将1‑溴丙酮溶解在甲醇中，加入原甲酸三甲酯和浓盐酸，反应2～3小时，得到1‑溴‑2,2‑二甲氧基丙烷。通过上述技术方案，解决了现有技术中合成1‑溴‑2,2‑二甲氧基丙烷的方法使用危险品、收率低、产物难纯化的问题。

  公开号：

  CN111348992A
• 作为试剂：
  描述：

  6-(2,4-dimethoxypyrimidin-5-yl)-4-(2-(trifluoromethyl)cyclopropyl)pyridazin-3-amine 在 1-溴-2,2-二甲氧基丙烷 、 对甲苯磺酸 作用下， 以 异丙醇 为溶剂， 反应 16.0h， 以34.5%的产率得到5-(2-methyl-8-(2-(trifluoromethyl)cyclopropyl)imidazo[1,2-b]pyridazin-6-yl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  [EN] OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  [FR] RÉGULATEUR DE DÉRIVÉ À CYCLE OXO-AZOTE, SON PROCÉDÉ DE PRÉPARATION ET SON APPLICATION
  [ZH] 氧代氮环类衍生物调节剂、其制备方法和应用

  摘要：

  一种氧代氮环类衍生物调节剂、其制备方法和应用，涉及氧代氮环类衍生物的调节剂、其制备方法和应用。特别地，涉及通式(I)所示的化合物、其制备方法及含有该化合物的药物组合物，及其作为调节剂在制备治疗癌症相关药物中的应用，其中通式(I)中的各取代基与说明书中的定义相同。

  公开号：

  WO2022121914A1

文献信息

• [EN] FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY<br/>[FR] DÉRIVÉS D'IMIDAZOLE ET DE PYRAZOLE CONDENSÉS COMME MODULATEURS DE L'ACTIVITÉ DU TNF
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2015086512A1

  公开（公告）日：2015-06-18

  A series of substituted benzimidazole, imidazo[1,2-α]pyridine and pyrazolo[1,5- α]pyridine derivatives, and analogues thereof, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

  一系列取代苯并咪唑、咪唑并[1,2-α]吡啶和吡唑并[1,5-α]吡啶衍生物及其类似物，作为人类TNFα活性的有效调节剂，因此在治疗和/或预防各种人类疾病方面具有益处，包括自身免疫和炎症性疾病；神经学和神经退行性疾病；疼痛和伤害感知性疾病；心血管疾病；代谢性疾病；眼科疾病；以及肿瘤学疾病。
• [EN] SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROARYLE SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2019099311A1

  公开（公告）日：2019-05-23

  The present invention provides novel heteroaryl compounds, pharmaceutical acceptable salts and formulations thereof. They are useful in preventing, managing, treating or lessening the severity of a protein kinase-mediated disease. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of protein kinase-mediated disease.

  本发明提供了新颖的杂环芳基化合物，其药用盐和制剂。它们在预防、管理、治疗或减轻蛋白激酶介导的疾病的严重程度方面是有用的。该发明还提供了包括这些化合物的药用组合物以及使用这些组合物治疗蛋白激酶介导的疾病的方法。
• 取代的杂芳基化合物及其组合物和用途
  申请人：广东东阳光药业有限公司

  公开号：CN109776522B

  公开（公告）日：2020-12-29

  本发明公开了取代的杂芳基化合物及其组合物和它们的用途。所述化合物为式(I)所示的化合物或者式(I)所示化合物的立体异构体、互变异构体、氮氧化物、溶剂化物、代谢产物、药学上可接受的盐或它的前药。本发明还提供了包含所述化合物的药物组合物，所述化合物和药物组合物可以调节蛋白激酶，尤其是Aurora激酶和JAK激酶的活性，用于预防、处理、治疗和减轻蛋白激酶，尤其是JAK激酶活性介导的疾病或紊乱。
• [EN] AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS<br/>[FR] DERIVES DE CYANURE D'AZOLE METHYLIDENE ET LEUR UTILISATION COMME MODULATEURS DE PROTEINE KINASE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003106455A1

  公开（公告）日：2003-12-24

  The present invention is related to azole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such azole derivatives. Said azole derivatives are modulators of the protein kinase signalling pathways, particularly the one involving c-Jun N-terminal kinase and/or Glycogen Kinase Synthase 3. The present invention is furthermore related to novel azole derivatives as well as to methods of their preparation. X is O, S or NR0, with R0 being H or an unsubstituted or substituted C1 -C6 alkyl; A is 2-pyridyl, 3-pyridyl, 4-pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl or triazinyl group.

  本发明涉及唑衍生物，尤其是用作药物活性化合物的唑衍生物，以及包含这种唑衍生物的药物制剂。所述唑衍生物是蛋白激酶信号通路的调节剂，尤其是涉及c-Jun N端激酶和/或糖原合酶3的那一种。本发明还涉及新颖的唑衍生物以及它们的制备方法。X是O、S或NR0，其中R0是H或未取代或取代的C1-C6烷基；A是2-吡啶基，3-吡啶基，4-吡啶基，吡啶唑基，吡唑啉基，吡嗪基或三嗪基团。
• [EN] SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] COMPOSÉS SPIRO-OXADIAZOLINE EN TANT QU'AGONISTES DES RÉCEPTEURS DE L'ACÉTYLCHOLINE Α-7 NICOTINIQUE
  申请人：FORUM PHARMACEUTICALS INC

  公开号：WO2015066371A1

  公开（公告）日：2015-05-07

  The present invention relates to novel spiro-oxadiazoline compounds that are suitable as agonists or partial agonists of a7-nAChR, and pharmaceutical compositions of the same, methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering a spiro-oxadiazoline cx7-nAChR agonist or partial agonist, to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

  本发明涉及新型螺环-噁二唑啉化合物，适用作a7-nAChR的激动剂或部分激动剂，以及这些化合物和组合物的制备方法、药物组合物，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物。具体而言，涉及向需要的患者（例如患有认知缺陷和/或希望增强认知功能的患者）施用螺环-噁二唑啉cx7-nAChR激动剂或部分激动剂的方法，以使其获益。

表征谱图