Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester

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Names

[ CAS No. ]:
6289-19-6

[ Name ]:
Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester

[Synonym ]:
3-Butyn-2-ol,phenylcarbamate
2-methyl-3-butyn-2-ol
2-methylbut-3-yn-2-yl phenylcarbamate
1,1-dimethylprop-2-ynyl phenylcarbamate
phenylcarbamate
3-methyl-3-phenylcarbamoyloxy-but-1-yne
WLN: 1UU1X1&CARBANILIC ACID,1,1-DIMETHYL-2-PROPYNYL ESTER
1,1-Dimethyl-2-propynylcarbanilate
1&OVMR
Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester

Chemical & Physical Properties

[ Density]:
1.137g/cm3

[ Boiling Point ]:
254ºC at 760 mmHg

[ Molecular Formula ]:
C12H13NO2

[ Molecular Weight ]:
203.23700

[ Flash Point ]:
107.4ºC

[ Exact Mass ]:
203.09500

[ PSA ]:
38.33000

[ LogP ]:
2.71990

[ Index of Refraction ]:
1.569

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FD8891000
CHEMICAL NAME :
Carbanilic acid, 1,1-dimethyl-2-propynyl ester
CAS REGISTRY NUMBER :
6289-19-6
BEILSTEIN REFERENCE NO. :
2101240
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
1UU1X1&1&OVMR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,85,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03260

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylisocyanate
  • 3-Methyl butynol
  • carbonochloridic acid, 1,1-dimethyl-2-propynyl ester

DownStream

  • 5,5-dimethyl-4-methylidene-3-phenyl-oxazolidin-2-one

Related Compounds

  • carbonochloridic acid, 1,1-dimethyl-2-propynyl ester
  • Carbamic acid, (1,1-dimethyl-2-propynyl)-, 1,1-dimethylethyl ester (9CI)
  • Diethylborinic acid 1,1-dimethyl-3-(trimethylsilyl)-2-propynyl ester
  • Carbamic acid, (1,1-dimethylethyl)-, 1,1-dimethyl-2-propynyl ester (9CI)
  • Carbamic acid, (trifluoromethyl)-, 1,1-dimethyl-2-propynyl ester (9CI)
  • Carbamic acid, butyl-, 1,1-dimethyl-2-propynyl ester (9CI)
  • 2-(2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropan-1-amine
  • tert-butyl N-(1-{[(2-hydroxyethyl)carbamoyl]methyl}-1H-pyrazol-4-yl)carbamate
  • 5-(2,2,3,3-Tetramethylcyclopropyl)-1,2-oxazole-3-carboxylic acid
  • rac-(1R,2R)-2-(3-bromo-1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
  • tert-butyl N-methyl-N-[2-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
  • 1-methyl-5-(4-methylpyridin-3-yl)-1H-pyrazole-4-carboxylic acid
  • 1-{5-Chlorothieno[3,2-b]pyridin-2-yl}-2,2-difluorocyclopropane-1-carboxylic acid
  • 2-hydroxy-3-[6-(1H-1,2,4-triazol-1-yl)pyridin-3-yl]propanoic acid
  • tert-butyl N-[5-bromo-2-(2-hydroxyethoxy)pyridin-3-yl]carbamate
  • 1-[1-(2,3,6-Trifluorophenyl)cyclopropyl]ethan-1-ol
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