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2-Amino-4-methylthiazole

2-Amino-4-methylthiazole structure

CAS No:
1603-91-4
Formula:
C4H6N2S
Chemical Name:
2-Amino-4-methylthiazole
Synonyms:
2-Thiazolamine,4-methyl-;Thiazole,2-amino-4-methyl-;4-Methyl-2-thiazolamine;2-Amino-4-methylthiazole;Normotiroide;4-Methyl-2-aminothiazole;4-Methyl-2-thiazolylamine;4-Methyl-1,3-thiazol-2-amine;Nomortiroide;NSC 40462;Aminomethiazole bitartrate;2-Amino-4-methyl-1,3-thiazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystal powde

2-Amino-4-methylthiazole Basic Attributes

Molecular Weight：

114.17

Exact Mass：

114.17

BRN：

107890

EC Number：

216-505-6

UNII：

R95713542R

NSC Number：

40462

DSSTox ID：

DTXSID40166856

HScode：

29341000

Characteristics

PSA：

67.2

XLogP3：

Appearance：

White to pale yellow crystals

Density：

1.176 (estimate)

Melting Point：

45.5 °C

Boiling Point：

124-126 °C @ Press: 20 Torr

Flash Point：

>230 °F

Refractive Index：

1.5000 (estimate)

Water Solubility：

H2O: soluble

Storage Conditions：

Refrigerator

Vapor Pressure：

0.059mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36/37-22-20/21/22

safety instructions：

26-36-39

Marks：

Xi,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-4-methylthiazole Use and Manufacturing

Methods of Manufacturing

It is derived from the action of chloroacetone and thiourea. Add water and thiourea into the reactor, stir, and add chloroacetone dropwise within half an hour. As the reaction progressed, thiourea gradually dissolved. Reflux the reaction for 2h, add granular sodium hydroxide under cooling and slowly stirring. Then the upper oil layer was separated, the water layer was extracted with ether, and the dark red oil was combined with the extract, dried with sodium hydroxide, and filtered. After distilling the ether from the filtrate, the residue is distilled under reduced pressure to collect the distillate at 117-120°C (1.07kPa) or 130-133°C (2.40kPa) to obtain the product with a yield of 70-75%.

Uses

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:114.17
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:114.02516937
Monoisotopic Mass:114.02516937
Topological Polar Surface Area:67.2
Heavy Atom Count:7
Complexity:66.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl ether

Acetone

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