2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate

Basic Information

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CAS Number

731018-54-5

Molecular Formula

C8H11FN2O2S

Molecular Weight

218.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC1=NC=C(S1)F

InChI

InChI=1S/C8H11FN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)

InChIKey

VCMFSWGHVQKQGS-UHFFFAOYSA-N

LogP

2.629200000000001

Topological Polar Surface Area

51.220000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

220

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-Butyl(5-fluorothiazol-2-yl)carbamate
CS-0039072
J-519985
731018-54-5
MFCD11656630
Carbamic acid,(5-fluoro-2-thiazolyl)-,1,1-dimethylethyl ester(9ci)
SCHEMBL640631
(5-Fluoro-thiazol-2-yl)-carbaMic acid tert-butyl ester;tert-Butyl (5-fluorothiazol-2-yl)carbamate
tert-Butyl (5-fluorothiazol-2-yl)carbamate
Carbamic acid, (5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI)
A847101
Tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
2-(Boc-amino)-5-fluorothiazole
FT-0660422
tert-Butyl (5-fluoro-1,3-thiazol-2-yl)carbamate
Y10056
DS-16498
VCMFSWGHVQKQGS-UHFFFAOYSA-N
DTXSID30474492
AKOS005258235
(5-fluoro-thiazol-2-yl)-carbamic acid tert-butyl ester
tert-butyl 5-fluoro-1,3-thiazol-2-ylcarbamate
(5-Fluorothiazol-2-yl)-carbamic acid tert-butyl ester
(5-fluorothiazol-2-yl)carbamic acid tert-butyl ester
2-(Tert-butoxycarbonylamino)-5-fluorothiazole
tert-Butyl 5-fluorothiazol-2-ylcarbamate
Carbamic acid, N-(5-fluoro-2-thiazolyl)-, 1,1-dimethylethyl ester
tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
(5-Fluoro-2-thiazolyl)carbamic acid 1,1-dimethylethyl ester
CARBAMIC ACID, (5-FLUORO-2-THIAZOLYL)-, 1,1-DIMETHYLETHYL ESTER
C8H11FN2O2S

MDL Number

MFCD11656630

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate (CAS: 731018-54-5)?

2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate is a solid compound with a crystalline form. The molecular weight is approximately 221.22 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound exhibits moderate reactivity towards nucleophiles. It is stable under normal storage conditions but should be protected from moisture and heat.

How is 2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate (CAS: 731018-54-5) typically synthesized?

2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate is typically synthesized via a multi-step process involving the coupling of 5-fluoro-1,3-thiazol-2-yl isocyanate with 2-methyl-2-propanol. The reaction proceeds in the presence of a suitable catalyst, such as 4-dimethylaminopyridine (DMAP), with good selectivity and yield. The product is then purified by recrystallization from a suitable solvent.

What industries use 2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate (CAS: 731018-54-5)?

2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate is used in various industries, including pharmaceuticals for its potential as an intermediate in drug synthesis. It may also find applications in the polymer industry for specific polymerization processes, and in the semiconductor and sensor industries for its functional groups.

What precautions should be taken when handling 2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate (CAS: 731018-54-5)?

When handling 2-Methyl-2-propanyl (5-fluoro-1,3-thiazol-2-yl)carbamate, appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. The compound should be stored in a cool, dry place, away from heat sources and moisture. In case of a spill, it should be contained and disposed of according to safety data sheet (SDS) guidelines. Always work with the compound in a well-ventilated area or fume hood to minimize inhalation risk.