N-甲氧基-N-甲基氨基甲酰氯 | 30289-28-2

• 物质功能分类: 化学试剂 - 有机试剂 - 酰卤
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: N-甲氧基-N-甲基氨基甲酰氯
• 中文别名: N-甲氧基-N-甲氨基甲酰氯
• 英文名称: N-methoxy-N-methylcarbamoyl chloride
• 英文别名: methoxy(methyl)carbamic chloride；methoxy(methyl)carbamyl chloride
• CAS: 30289-28-2
• 化学式: C₃H₆ClNO₂
• mdl: MFCD06658962
• 分子量: 123.539
• InChiKey: SHQJHXLWZDMQEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  60°C/18mmHg(lit.)
• 密度：
  1.233±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36,S37,S39,S45
• 危险类别码：
  R20/22,R34,R40,R29
• 海关编码：
  2909199090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P501,P210,P234,P264,P280,P370+P378,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P403+P235,P406,P405
• 危险品运输编号：
  3265
• 危险性描述：
  H314,H227,H290
• 储存条件：
  存于阴凉干燥处

SDS

Name:	N-Methoxy-N-methycarbamoyl chloride Material Safety Data Sheet
Synonym:	None Known
CAS:	30289-28-2

Section 1 - Chemical Product MSDS Name:N-Methoxy-N-methycarbamoyl chloride Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
30289-28-2	N-Methoxy-N-methycarbamoyl chloride	95	unlisted

Hazard Symbols: C
Risk Phrases: 20/22 29 34 40

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Contact with water liberates toxic gas. Causes burns. Limited evidence of a carcinogenic effect.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure. Limited evidence of a carcinogenic effect.

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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.
Skin:
If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil. In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER!

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not expose spill to water.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam. Use only with adequate ventilation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep away from water. Corrosives area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use explosion-proof ventilation equipment. 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# 30289-28-2: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H6ClNO2
Molecular Weight: 123.54

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Reacts with water to form toxic fumes. Reacts with water to form hydrogen chloride, a toxic and corrosive gas.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Water.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 30289-28-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Methoxy-N-methycarbamoyl chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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: CORROSIVE LIQUID, WATER REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, WATER REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, WATER REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3094
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 29 Contact with water liberates toxic gas.
R 34 Causes burns.
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 30289-28-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 30289-28-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 30289-28-2 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：

  N-甲氧基-N-甲基氨基甲酰氯 生成 1-{4-[2-(2,3-dihydro-2-methyl-5-benzofuranyl)ethyloxy]phenyl}-3-methoxy-3-methylurea
  参考文献：
  名称：

  OTA, XIROKI;ISII, KADZUO;SUDZUKI, SEHJITI;XANABEH, XIROSI

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲羟胺盐酸盐 在 吡啶 、 三光气 作用下， 以70%的产率得到N-甲氧基-N-甲基氨基甲酰氯
  参考文献：
  名称：

  N-甲氧基-N-甲基氰基甲酰胺，一种高反应性试剂，可形成β-酮基Weinreb酰胺和不对称酮

  摘要：

  据报道，由三甲基甲硅烷基氰化物和N-甲氧基-N-甲基氨基甲酰咪唑快速合成了新的高反应性试剂N-甲氧基-N-甲基氰基甲酰胺。该试剂可以一锅法从各种有机金属物种一锅法制备烯醇锂，一碳同系Weinreb酰胺和不对称酮，一锅制备β-羰基Weinreb酰胺。

  DOI：

  10.1021/acs.orglett.6b01844
• 作为试剂：
  描述：

  1,3-二溴丙烷 在 碘 、 magnesium 、 N-甲氧基-N-甲基氨基甲酰氯 作用下， 以 四氢呋喃 为溶剂， 以51.5 %的产率得到环丁酮
  参考文献：
  名称：

  CN116947610

  摘要：

  公开号：

文献信息

• Synthesis and Evaluation of Carbamate Prodrugs of a Phenolic Compound
  作者：Yasushi Igarashi、Erika Yanagisawa、Toshihiro Ohshima、Shuichi Takeda、Masaki Aburada、Ken-ichi Miyamoto

  DOI：10.1248/cpb.55.328

  日期：——

  A series of carbamates of the phenolic compound 1 were prepared and evaluated in vivo as its prodrug. Each carbamate was orally administered to rats, and plasma concentrations of the parent compound 1 were measured with the passage of time. We judged which carbamate was suitable for the prodrug of 1 from both the AUC value of 1 and absence of the carbamate in plasma. The AUC value of 1 after oral administration of 2b was approximately 40-fold higher than that for an administration of 1, and the bioconversion from 2b to 1 was excellent. As a whole, di-substituted carbamates resulted in higher plasma concentrations of 1 than did mono-substituted ones. However di-substituted carbamates were almost always detected in plasma. As a result, we found that the ethycarbamoyl derivative 2b demonstrates the best prodrug property in this series.

  酚类化合物1的一系列氨基甲酸酯被制备并作为前药在体内进行了评估。每种氨基甲酸酯被口服给予大鼠，并随着时间的推移测量母体化合物1的血浆浓度。我们从1的AUC值和血浆中无氨基甲酸酯存在这两方面来判断哪种氨基甲酸酯适合作为1的前药。口服给予2b后1的AUC值大约是直接给予1的40倍，且2b向1的生物转化非常出色。总体而言，双取代氨基甲酸酯导致1的血浆浓度高于单取代氨基甲酸酯。然而双取代氨基甲酸酯几乎总是被检测到在血浆中存在。因此，我们发现乙氨基甲酸酯衍生物2b在这一系列中显示出最佳的前药特性。
• [EN] PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST<br/>[FR] COMPOSÉ DE PYRIDINE, COMPOSITION PESTICIDE ET PROCÉDÉ DE LUTTE CONTRE LES NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009066786A1

  公开（公告）日：2009-05-28

  A pyridine compound represented by the following general formula (1); the pyridine compound in which R1 is a C1-C3 fluoroalkyl group or a C1-C3 fluoroalkoxy group; the pyridine compound in which R2 is a hydrogen atom; the pyridine compound in which R2 is a group represented by Q1; a pesticidal composition containing the pyridine compound as an active ingredient; and a method of controlling a pest including applying an effective amount of the pyridine compound to the pest or a place where the pest inhabits, are provided.

  以下是通用公式（1）表示的吡啶化合物；其中R1是C1-C3氟烷基或C1-C3氟烷氧基的吡啶化合物；其中R2是氢原子的吡啶化合物；其中R2是由Q1表示的基团的吡啶化合物；包含所述吡啶化合物作为活性成分的杀虫剂组合物；以及一种控制害虫的方法，包括向害虫或害虫栖息地施加有效量的吡啶化合物。
• Process for the preparation of isoquinoline derivatives
  申请人：Sanofi

  公开号：US05079363A1

  公开（公告）日：1992-01-07

  The subject of the present invention is a process for the preparation of isoquinoline derivatives in four steps wherein use is made as synthetic intermediates of organo-lithium compounds or related compounds.

  本发明的主题是一种四步法制备异喹啉衍生物的过程，其中使用有机锂化合物或相关化合物作为合成中间体。
• A Close‐to‐Aromatize Approach for the Late‐Stage Functionalization through Ring Closing Metathesis
  作者：Boris Lozhkin、Thomas R. Ward

  DOI：10.1002/hlca.202100024

  日期：2021.5

  An efficient approach for the synthesis of monosubstituted aromatic compounds relying on a ring‐closing metathesis followed by spontaneous 1,2‐elimination is presented. The efficiency for late‐stage functionalization is highlighted in various solvents (up to 920 TON). This approach is compatible with strained cycles and other multiple bonds in the substrate.

  提出了一种有效的合成方法，该方法依靠闭环易位然后自发的1,2-消除来合成单取代的芳族化合物。在各种溶剂（最高920 TON）中，突出了后期官能化的效率。该方法与衬底中的应变循环和其他多个键兼容。
• 一种催化不对称合成可待因和吗啡的方法
  申请人：兰州大学

  公开号：CN109666030B

  公开（公告）日：2021-04-27

  本发明公开了一种合成可待因和吗啡的方法，包括如下步骤：(I)以3‑丁炔‑1‑醇为起始原料，合成化合物6：(II)化合物6先在螺环胺催化剂的催化下发生分子内Michael加成反应，再加入酸进行脱水环化反应，得到具有氢化二苯并呋喃结构的手性化合物7：(III)化合物7经烯丙基化、臭氧氧化、傅克反应、环氧化反应、Wharton氧迁移反应、脱苄基、Mitsunobu反应、DMP氧化、硼氢化钠还原和伯奇还原的转化，得到可待因可待因进一步在三溴化硼作用下，脱除甲基保护基，得到吗啡。与现有合成方法相比，本发明的全合成方法更为简短，催化不对称反应具有对映选择性高、产率高等优点。