tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate
• CAS No.: 109608-77-7
• Molecular Formula: C9H17 N O3
• Molecular Weight: 187.239
• Hs Code.: 2924199090
• European Community (EC) Number: 821-417-1
• DSSTox Substance ID: DTXSID10561874
• Wikidata: Q82445787
• Mol file: 109608-77-7.mol

Synonyms:109608-77-7;tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate;TERT-BUTYL (1,1-DIMETHYL-2-OXOETHYL)CARBAMATE;TERT-BUTYL 2-FORMYLPROPAN-2-YLCARBAMATE;tert-butyl N-(2-methyl-1-oxopropan-2-yl)carbamate;tert-butyl2-formylpropan-2-ylcarbamate;MFCD09751786;tert-butyl N-(1,1-dimethyl-2-oxo-ethyl)carbamate;SCHEMBL293062;N-Boc-2-amino-2-methylpropanal;(1,1-dimethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester;DTXSID10561874;JXLSDCIHYQAXOA-UHFFFAOYSA-N;N-BOC-2-amino-2-methyl-l-propanal;N-BOC-2-amino-2-methyl-1-propanal;AKOS006329450;AB51437;CS-W006271;N-Boc-2-amino-2-methyl-propionaldehyde;DS-13230;SY042303;2-tert-butoxycarbonylamino-2-methylpropanal;A2159;C71336;EN300-127320;tert-butyl 2-methyl-1-oxopropan-2-ylcarbamate;tert-Butyl(2-methyl-1-oxopropan-2-yl)carbamate;n-(tert-butoxycarbonyl)-2-amino-2-methyl-propanal;2(tert-butoxycarbonylamino)-2-methyl propionaldehyde;(1,1-dimethyl-2-oxoethyl)carbamic acid t-butyl ester;2-(tert-butoxycarbonylamino)-2-methyl propionaldehyde;(1,1-dimethyl-2-oxo-ethyl)carbamic acid tert-butyl ester

Chemical Property of tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 260.345°C at 760 mmHg
• PKA: 10.88±0.46(Predicted)
• Flash Point: 111.253°C
• PSA: 55.40000
• Density: 1.002g/cm³
• LogP: 1.87950
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 187.12084340
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-Methyl-1-oxopropan-2-yl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate

There total 8 articles about tert-Butyl (2-methyl-1-oxopropan-2-yl)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: 99.0%

2-((tert-butyloxycarbonyl)amino)-2-methylpropan-1-ol (102520-97-8) → 2-tert-butoxycarbonylamino-2-methylpropanal (109608-77-7)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield: 96.0%

→ 2-tert-butoxycarbonylamino-2-methylpropanal (109608-77-7)

Guidance literature:

Reference yield: 68.0%

<2-(methoxymethylamino)-1,1-dimethyl-2-oxoethyl>carbamic acid, 1,1,-dimethylethyl ester (160816-27-3) → 2-tert-butoxycarbonylamino-2-methylpropanal (109608-77-7)

Guidance literature:

<2-(methoxymethylamino)-1,1-dimethyl-2-oxoethyl>carbamic acid, 1,1,-dimethylethyl ester; With lithium triethylborohydride; In tetrahydrofuran; at -40 - 20 ℃; for 1.5h;

With citric acid; In tetrahydrofuran; water;

upstream raw materials:

2-((tert-butyloxycarbonyl)amino)-2-methylpropan-1-ol

di-tert-butyl dicarbonate

<2-(methoxymethylamino)-1,1-dimethyl-2-oxoethyl>carbamic acid, 1,1,-dimethylethyl ester

oxalyl dichloride

Downstream raw materials:

(1,1-dimethyl-prop-2-ynyl)-carbamic acid tert-butyl ester

Boc-Aib-OH