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Methyl 3-amino-2-thiophenecarboxylate

Methyl 3-amino-2-thiophenecarboxylate structure

CAS No:
22288-78-4
Formula:
C6H7NO2S
Chemical Name:
Methyl 3-amino-2-thiophenecarboxylate
Synonyms:
AMino-2-thiophenecarboxylate;AMino thiophene - 2-3 - carboxylic acid Methyl ester;Methyl3-aMino-2-thiophenecarbo;RARECHEM AM UC 0123;3-amino-2-thiophenecarboxylicacimethylester;ina-5545-2;Methyl3-amino-2-thenoate;3-AMINO-2-METHOXYCARBONYLTHIOPHENE
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

white to light yellow crystal powder

Methyl 3-amino-2-thiophenecarboxylate reacts with hydrazonoyl chlorides in the presence of triethylamine to yield correspondingN-arylamidrazones.

Methyl 3-amino-2-thiophenecarboxylate Basic Attributes

Molecular Weight：

157.19

Exact Mass：

157.19

BRN：

1365614

EC Number：

244-895-8

UNII：

E7S8G23AHX

TSCA：

TSCA listed

DSSTox ID：

DTXSID7073436

Color/Form：

Beige to beige-brown

HScode：

29349990

Characteristics

PSA：

80.6

XLogP3：

1.7

Appearance：

Beige to beige-brown Fine Crystalline Powder

Density：

1.274 (estimate)

Melting Point：

62-64 °C (lit.)

Boiling Point：

100-102 °C/0.1 mmHg (lit.)

Flash Point：

100-102°C/0.1mm

Refractive Index：

1.5500 (estimate)

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000126mmHg at 25°C

PKA：

1.86±0.10(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,Room temperature

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-37/39-36/37/39-22

RTECS Number：

XM8347500

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

GHS Classification：

|Warning|H315 (96.15%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 3-amino-2-thiophenecarboxylate Use and Manufacturing

Methods of Manufacturing

The preparation method is to add sodium methoxide solution, methanol, and methyl thioglycolate to the reaction kettle, stir and cool, and add a certain amount of dichloroacrylonitrile methanol solution to the kettle for about 4 to 5 hours. After the addition, Keep the temperature for 16 h, then heat to evaporate the methanol, add water to cool to obtain crystals, and filter to obtain the finished product.

Uses

It is used as an intermediate for pesticides and pharmaceuticals. It is an intermediate for the synthesis of pesticides thiabendazole, broad-leaf powder and the drug tenoxicam

Methyl 3-amino-2-thiophenecarboxylate was used in:the synthesis of 4-nitro and 4-aminothienyl ureastotal synthesis of quinazolinocarboline alkaloidspreparation of thienopyrimidinone analogs

Methyl 3-amino-2-thiophenecarboxylate is the starting material for synthesising Belvarafenib. Belvarafenib is a small-molecule RAF dimer (type II) inhibitor with potential antitumour activity.

Manufacturing Info：

2-Thiophenecarboxylic acid, 3-amino-, methyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:157.19
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:157.01974964
Monoisotopic Mass:157.01974964
Topological Polar Surface Area:80.6
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Methanol

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Guide of Methyl 3-amino-2-thiophenecarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl 3-amino-2-thiophenecarboxylate

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