tert-Butyl tert-butylcarbamate

Base Information

• Chemical Name: tert-Butyl tert-butylcarbamate
• CAS No.: 71872-03-2
• Molecular Formula: C9H19 N O2
• Molecular Weight: 173.255
• DSSTox Substance ID: DTXSID40552235
• Nikkaji Number: J406.011C
• Wikidata: Q82432344
• Mol file: 71872-03-2.mol

Synonyms:71872-03-2;TERT-BUTYL N-TERT-BUTYLCARBAMATE;tert-Butyl tert-butylcarbamate;Carbamic acid,N-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester;tert-Butyltert-butylcarbamate;SCHEMBL132657;DTXSID40552235;AKOS013099966;BS-24481;D86927

Chemical Property of tert-Butyl tert-butylcarbamate

Chemical Property:

• Boiling Point: 206.0±8.0 °C(Predicted)
• PKA: 13.03±0.46(Predicted)
• PSA: 41.82000
• Density: 0.914±0.06 g/cm3(Predicted)
• LogP: 2.51400
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 173.141578849
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Carbamicacid,N-(1,1-dimethylethyl)-,1,1-dimethylethylester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)OC(C)(C)C

Technology Process of tert-Butyl tert-butylcarbamate

There total 6 articles about tert-Butyl tert-butylcarbamate 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: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + tert-butylamine (75-64-9) → tert-Butyl-carbamic acid tert-butyl ester (71872-03-2)

Guidance literature:

di-tert-butyl dicarbonate; With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 0.5h;

tert-butylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo048363v

Reference yield: 93.0%

tert-butyl alcohol (75-65-0) + Tert-butyl isocyanate (1609-86-5) → tert-Butyl-carbamic acid tert-butyl ester (71872-03-2)

Guidance literature:

With dioxo-molybdenum dichloride bis-dimethylformamide; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/adsc.201200303

Reference yield: 87.0%

tert-butylamine (75-64-9) + N-tert-Butoxycarbonyl-N-trifluoromethylsulfonyl-4-trifluoromethylanilide (250296-58-3) → tert-Butyl-carbamic acid tert-butyl ester (71872-03-2)

Guidance literature:

With dmap; In tetrahydrofuran; at 20 ℃; for 19h;

DOI:10.1039/a905561d

upstream raw materials:

di-tert-butyl dicarbonate

tert-butylamine

2,2-dimethylpropionamide

tert-butyl alcohol

Downstream raw materials:

N-(tert-butoxycarbonyl)-N-methylhydroxylamine

tert-butyl (4-(trifluoromethyl)phenyl)carbamate

(5-chloro-2-hydroxybenzyl)carbamic acid tert-butyl ester

tert-butyl N-but-3-enylcarbamate