Ethyl isopropylcarbamate

Base Information

• Chemical Name: Ethyl isopropylcarbamate
• CAS No.: 2594-20-9
• Molecular Formula: C6H13 N O2
• Molecular Weight: 131.175
• NSC Number: 29184
• UNII: LP6CSR4YU7
• DSSTox Substance ID: DTXSID90180603
• Nikkaji Number: J33.939C
• Wikidata: Q83051168
• Mol file: 2594-20-9.mol

Synonyms:Ethyl isopropylcarbamate;Isopropyl ethyl urethan;2594-20-9;CARBAMIC ACID, ISOPROPYL-, ETHYL ESTER;ethyl (1-methylethyl)carbamate;Carbamic acid, (1-methylethyl)-, ethyl ester;NSC 29184;LP6CSR4YU7;BRN 1750035;AI3-16944;isopropyl-carbamic acid ethyl ester;NSC-29184;Carbamic acid, N-(1-methylethyl)-, ethyl ester;UNII-LP6CSR4YU7;SCHEMBL906813;WLN: 2OVMY1&1;ETHYL N-ISOPROPYLCARBAMATE;DTXSID90180603;N-ISOPROPYL-O-ETHYLURETHANE;NSC29184;AKOS003849799;LS-50002

Chemical Property of Ethyl isopropylcarbamate

Chemical Property:

• Vapor Pressure: 0.756mmHg at 25°C
• Boiling Point: 183.8°C at 760 mmHg
• Flash Point: 65°C
• Density: 0.935g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 91.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(C)C

Technology Process of Ethyl isopropylcarbamate

There total 12 articles about Ethyl isopropylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

3-amino-4-pyridinylcarbamic acid ethyl ester (904294-61-7) + isopropylamine (75-31-0) → 1H-[1.2.3]triazolo-(4,5-c)pyridine (273-05-2) + ethyl N-isopropylcarbamate (2594-20-9)

Guidance literature:

3-amino-4-pyridinylcarbamic acid ethyl ester; With nitrosonium tetrafluoroborate; In acetonitrile; at 0 ℃; for 0.333333h;

isopropylamine; In acetonitrile; at 20 ℃;

DOI:10.1002/jhet.5570430223

Reference yield: 72.0%

methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) + ethyl N-(2-iodo-1-methylethyl) carbamate → ethyl N-isopropylcarbamate (2594-20-9) + methyl 5-N-ethoxycarbonylamino-2-methylhexanoate

Guidance literature:

With sodium tetrahydroborate; azobisisobutyronitrile; tributyltin chloride; In ethanol; for 16h; Ambient temperature;

Reference yield: 62.0%

ethyl N-(2-iodo-1-methylethyl) carbamate + methacrylonitrile (126-98-7,25067-61-2) → ethyl N-isopropylcarbamate (2594-20-9) + 5-N-ethoxycarbonylamino-2-methylhexanenitrile

Guidance literature:

With sodium tetrahydroborate; azobisisobutyronitrile; tributyltin chloride; In ethanol; for 16h; Ambient temperature;

upstream raw materials:

chloroformic acid ethyl ester

isopropylamine

N-Methyl-N-nitrourethan

1,1-Dichloroethylene

Downstream raw materials:

isopropyl-nitro-carbamic acid ethyl ester

Isopropyl isocyanate

N-methylpropan-2-amine

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