tert-Butyl 2-isocyano-3-phenylpropionate

Base Information

Chemical Name:tert-Butyl 2-isocyano-3-phenylpropionate
CAS No.:32755-44-5
Molecular Formula:C14H17N1O2
Molecular Weight:231.294
Hs Code.:2926909090
European Community (EC) Number:634-801-7
DSSTox Substance ID:DTXSID50377734
Nikkaji Number:J1.665.810C
Mol file:32755-44-5.mol

Synonyms:tert-Butyl 2-isocyano-3-phenylpropionate;32755-44-5;tert-butyl 2-isocyano-3-phenylpropanoate;DTXSID50377734;2-Isocyano-3-phenylpropanoic acid tert-butyl ester;J-018867;tert-Butyl 2-isocyano-3-phenylpropionate, >=96.0% (GC)

Suppliers and Price of tert-Butyl 2-isocyano-3-phenylpropionate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
TERT-BUTYL-2-ISOCYANO-3-PHENYLPROPIONATE 95.00%
250MG
$ 724.62

Total 4 raw suppliers

Chemical Property of tert-Butyl 2-isocyano-3-phenylpropionate

Chemical Property:

Refractive Index:n20/D 1.493
PSA：26.30000
LogP:2.08940
Storage Temp.:−20°C
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:231.125928785
Heavy Atom Count:17
Complexity:302

Purity/Quality:

99% ^*data from raw suppliers

TERT-BUTYL-2-ISOCYANO-3-PHENYLPROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C(CC1=CC=CC=C1)[N+]#[C-]

Technology Process of tert-Butyl 2-isocyano-3-phenylpropionate

There total 3 articles about tert-Butyl 2-isocyano-3-phenylpropionate 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:

: 61900-41-2
N-Formylphenylalanin-tert-butylester

: 32755-44-5
tert-butyl 2-isocyano-3-phenylpropanoate

Guidance literature:: With triethylamine; trichlorophosphate; In tetrahydrofuran; at -78 - 0 ℃; for 1h;
DOI:10.1021/ol102812c

Reference yield:

: 16367-71-8
t-butyl (RS)-phenylalaninate

: 32755-44-5
tert-butyl 2-isocyano-3-phenylpropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / 2 h / 0 - 20 °C

2: triethylamine; trichlorophosphate / tetrahydrofuran / 1 h / -78 - 0 °C

With acetic anhydride; triethylamine; trichlorophosphate; In tetrahydrofuran;
DOI:10.1021/ol102812c

Reference yield:

: 150-30-1,25191-15-5,658-69-5,67675-33-6
Phenylalanine

: 32755-44-5
tert-butyl 2-isocyano-3-phenylpropanoate

Guidance literature:: Multi-step reaction with 3 steps

1: perchloric acid dihydrate / 48 h / 20 °C

2: acetic anhydride / formic acid / 5 h / 20 °C

3: trichlorophosphate; triethylamine / tetrahydrofuran / 2 h / -78 - 20 °C / Inert atmosphere

With perchloric acid dihydrate; acetic anhydride; triethylamine; trichlorophosphate; In tetrahydrofuran; formic acid;
DOI:10.1039/c3cc39088h