1-Butanol, 2,2-dimethyl-, carbamate

Base Information

• Chemical Name: 1-Butanol, 2,2-dimethyl-, carbamate
• CAS No.: 3124-44-5
• Molecular Formula: C₇H₁₅NO₂
• Molecular Weight: 145.202
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20185166
• Nikkaji Number: J70.065G
• Wikidata: Q83056151
• Mol file: 3124-44-5.mol

Synonyms:3124-44-5;2,2-Dimethyl-1-butanol carbamate;1-BUTANOL, 2,2-DIMETHYL-, CARBAMATE;2,2-Dimethylbutyl ester of carbamic acid;BRN 1903557;Carbamic acid, 2,2-dimethylbutyl ester;SCHEMBL222664;DTXSID20185166;AKOS006278174;Carbamic acid,2,2-dimethylbutyl ester;LS-46523;3,5-Dihdyroxyphenylacetic acid methyl ester

Chemical Property of 1-Butanol, 2,2-dimethyl-, carbamate

Chemical Property:

• Vapor Pressure: 0.0562mmHg at 25°C
• Melting Point: 71.0-71.8 °C
• Boiling Point: 233.3°C at 760 mmHg
• PKA: 13.52±0.50(Predicted)
• Flash Point: 92.7°C
• PSA: 53.31000
• Density: 0.959g/cm³
• LogP: 2.03170
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

CARBAMIC ACID, 2,2-DIMETHYLBUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)COC(=O)N

Technology Process of 1-Butanol, 2,2-dimethyl-, carbamate

There total 2 articles about 1-Butanol, 2,2-dimethyl-, carbamate 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:

1,1-dimethylpropylmagnesium chloride (28276-08-6) → Carbaminsaeure-(2,2-dimethyl-butylester) (3124-44-5)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) Py, (ii) liq. NH₃

DOI:10.1021/jm00329a012

Reference yield:

2,2-Dimethyl-1-butanol (1185-33-7) + phenyl chloroformate (1885-14-9) → Carbaminsaeure-(2,2-dimethyl-butylester) (3124-44-5)

Guidance literature:

Multistep reaction; (i) Py, (ii) liq. NH₃;

DOI:10.1021/jm00329a012

upstream raw materials:

2,2-Dimethyl-1-butanol

phenyl chloroformate

1,1-dimethylpropylmagnesium chloride

Refernces