tert-Butyl (cyanomethyl)(methyl)carbamate

Base Information

• Chemical Name: tert-Butyl (cyanomethyl)(methyl)carbamate
• CAS No.: 180976-09-4
• Molecular Formula: C8H14 N2 O2
• Molecular Weight: 170.211
• Hs Code.: 2926909090
• European Community (EC) Number: 829-907-7
• DSSTox Substance ID: DTXSID70442993
• Wikidata: Q82260646
• Mol file: 180976-09-4.mol

Synonyms:180976-09-4;tert-Butyl (cyanomethyl)(methyl)carbamate;2-(N-boc-methylamino)acetonitrile;tert-butyl N-(cyanomethyl)-N-methylcarbamate;CYANOMETHYL-METHYL-CARBAMIC ACID TERT-BUTYL ESTER;MFCD06658361;2-(N-BOC-N-METHYLAMINO)-ACETONITRILE;Tert-butyl N-(cyanomethyl)-N-methyl-carbamate;SCHEMBL4726104;2-[Boc(methyl)amino]acetonitrile;DTXSID70442993;2-(N-Boc-N-methylamino)acetonitrile;AKOS011175069;DS-6541;SB34462;tert-Butyl (cyanomethyl)methylcarbamate;tert-Butyl(cyanomethyl)(methyl)carbamate;SY108136;CS-0154819;FT-0691761;EN300-64595;A812575;N-(cyanomethyl)-N-methylcarbamic acid tert-butyl ester;Z883138706;Carbamic acid, N-(cyanomethyl)-N-methyl-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl (cyanomethyl)(methyl)carbamate

Chemical Property:

• PSA: 53.33000
• LogP: 1.37688
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.105527694
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

2-(N-BOC-N-Methylamino)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)CC#N

Technology Process of tert-Butyl (cyanomethyl)(methyl)carbamate

There total 6 articles about tert-Butyl (cyanomethyl)(methyl)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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-(methylamino)acetonitrile hydrochloride (25808-30-4) → cyanomethyl-methyl-carbamic acid tert-butyl ester (180976-09-4)

Guidance literature:

With sodium carbonate; In methanol; water; for 2.5h; Ambient temperature;

DOI:10.1021/jm960207w

Reference yield: 98.0%

N-carbamoylmethyl-N-methyl-carbamic acid t-butyl ester (94849-39-5) → cyanomethyl-methyl-carbamic acid tert-butyl ester (180976-09-4)

Guidance literature:

With trifluoroacetic anhydride; In pyridine;

DOI:10.1016/S0040-4039(97)01166-0

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + (methylamino)acetonitrile (5616-32-0) → cyanomethyl-methyl-carbamic acid tert-butyl ester (180976-09-4)

Guidance literature:

In ethanol; at 20 ℃; for 0.5h;

DOI:10.1055/s-0036-1588638

upstream raw materials:

di-tert-butyl dicarbonate

2-(methylamino)acetonitrile hydrochloride

N-carbamoylmethyl-N-methyl-carbamic acid t-butyl ester

N-(tert-butoxycarbonyl)sarcosine

Downstream raw materials:

[5-(cyclohexyl-hydroxy-phenyl-methyl)-[1,2,4]oxadiazol-3-ylmethyl]-methyl-carbamic acid tert-butyl ester