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2-Oxazolamine

2-Oxazolamine structure

CAS No:
4570-45-0
Formula:
C3H4N2O
Chemical Name:
2-Oxazolamine
Synonyms:
2-Oxazolamine;Oxazole,2-amino-;2-Aminooxazole;1,3-Oxazol-2-amine;(1,3-Oxazol-2-yl)amine;Oxazol-2(3H)-imine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Oxazolamine Basic Attributes

Molecular Weight：

84.08

Exact Mass：

84.08

EC Number：

610-269-1

DSSTox ID：

DTXSID00339766

HScode：

2934999090

Characteristics

PSA：

XLogP3：

-0.2

Density：

1.2±0.1 g/cm3

Melting Point：

96-98 °C

Boiling Point：

186.6°C at 760 mmHg

Flash Point：

66.7±22.6 °C

Refractive Index：

1.529

Safety Information

Transport codes：

UN 2735

wgk germany：

hazard class code：

R34

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): 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 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-aminooxazole

2-Oxazolamine Use and Manufacturing

Preparation of 2-amino-oxazole. To a solution of cyanamide (19.8 ml of 50percent w/w in water, 0.25 mol) in THF (60 ml) was added the hydroxyacetaldehyde (15 g, 0.25 mol) in 24 ml of water. The reaction mixture was treated at 0To a solution of cyanamide (33ml, 50percentwt in water, 0.416mol) in THF (100ml), wasadded an aqueous solution of 2-hydroxyacetaldehyde (25g, 0.41 6mol) in water (40ml), followed by the dropwise addition of 2M sodium hydroxide (42ml, 0.083mol) at 0°C. Stirringwas continued for a total of 24 hours. Then, the reaction mixture was concentrated in vacua toremove most of the THF. The remaining water layer was extracted with ethyl acetate (4 x200ml). The extract was dried over sodium sulfate and the solvent was evaporated in vacua.This gave the white solid product A (23 g, 66percent).Example 35: Preparation of 2-amino-oxazole.; To a solution of cyanamide (33 ml, 50percent wt in water, 0.416 mol) in THF (100 ml), is added an aqueous solution of 2-hydroxyacetaldehyde (25g, 0.416 mol) in water (40ml), followed by the dropwise addition of 2M sodium hydroxide (42 ml, 0.083 mol) at O°C.Stirring is continued for a total of 24 hours. Then, the reaction mixture is concentrated in vacuo to remove most of the THF. The remaining water layer is extracted four times with 200 ml each of ethyl acetate. The extract is dried over sodium sulfate and the solvent is evaporated in vacuo. This produces a white solid product (23g, 66percent).

Computed Properties

Molecular Weight:84.08
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:84.032362755
Monoisotopic Mass:84.032362755
Topological Polar Surface Area:52
Heavy Atom Count:6
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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