Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

Base Information

Chemical Name:Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate
CAS No.:220394-91-2
Molecular Formula:C14H16N2O3
Molecular Weight:260.293
Hs Code.:2933399090
DSSTox Substance ID:DTXSID80379943
Nikkaji Number:J1.580.382G
Mol file:220394-91-2.mol

Synonyms:220394-91-2;BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;benzyl 4-isocyanatopiperidine-1-carboxylate;1-Cbz-4-isocyanatopiperidine;BENZYL4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;1-Piperidinecarboxylicacid, 4-isocyanato-, phenylmethyl ester;SCHEMBL2444559;DTXSID80379943;JBQXPARAPVCGFW-UHFFFAOYSA-N;1-Piperidinecarboxylic acid, 4-isocyanato-, phenylmethyl ester;VIA39491;MFCD02681988;AKOS023413348;AB91771;benzyl-4-isocyanatopiperidinecarboxylate;4-Isocyanatopiperidine, N-CBZ protected;BS-24987;benzyl 4-isocyanatopiperidin-1-carboxylate;FT-0622809;(1-Benzyloxycarbonylpiperidin-4-yl)isocyanate;1-(benzyloxycarbonyl)-4-piperidinylisocyanate;EN300-6983765;A815859;W-206718;4-Isocyanato-1-piperidinecarboxylic acid benzyl ester;4-isocyanato-piperidine-1-carboxylic acid benzyl ester;benzyl-4-isocyanatotetrahydro-1(2H)-pyridine carboxylate

Suppliers and Price of Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

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

SynQuest Laboratories
4-Isocyanatopiperidine, N-Cbz protected
1 g
$ 218.00

Matrix Scientific
Benzyl 4-Isocyanatotetrahydro-1(2H)-pyridinecarboxylate 97%
10g
$ 2100.00

Matrix Scientific
Benzyl 4-Isocyanatotetrahydro-1(2H)-pyridinecarboxylate 97%
1g
$ 267.00

Chemenu
benzyl4-isocyanatopiperidine-1-carboxylate 95%
1g
$ 368.00

Atlantic Research Chemicals
Benzyl4-Isocyanatotetrahydro-1(2H)-pyridinecarboxylate 95%
5gm:
$ 982.61

American Custom Chemicals Corporation
BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE 95.00%
250MG
$ 628.44

American Custom Chemicals Corporation
BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE 95.00%
1G
$ 730.31

American Custom Chemicals Corporation
BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE 95.00%
5G
$ 1398.36

AK Scientific
Benzyl4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate
5g
$ 1117.00

Acrotein
1-Cbz-4-isocyanatopiperidine 97%
0.5g
$ 132.00

Total 18 raw suppliers

Chemical Property of Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

Chemical Property:

Vapor Pressure:2.73E-06mmHg at 25°C
Refractive Index:1.576
Boiling Point:390 °C at 760 mmHg
Flash Point:189.7 °C
PSA：58.97000
Density:1.19 g/cm³
LogP:2.06130
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:260.11609238
Heavy Atom Count:19
Complexity:339

Purity/Quality:

97% ^*data from raw suppliers

4-Isocyanatopiperidine, N-Cbz protected ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1N=C=O)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

There total 5 articles about Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate 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: 38.0%

: 10314-98-4
1-benzyloxycarbonylpiperidine-4-carboxylic acid

: 220394-91-2
benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

Guidance literature:: With diphenylphosphoranyl azide; trimethylamine; In toluene; at 95 ℃; for 3.5h; Inert atmosphere;
DOI:10.1002/anie.201807393

Reference yield:

: 4-azidocarbonyl-piperidine-1-carboxylic acid benzyl ester

: 220394-91-2
benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

Guidance literature:: In toluene; at 80 ℃;
DOI:10.1016/S0960-894X(01)00492-9

Reference yield:

: 501-53-1,94274-21-2
benzyl chloroformate

: 220394-91-2
benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: aq. NaOH / acetone

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

3: aq. NaN₃ / acetone / 0 °C

4: toluene / 80 °C

With sodium hydroxide; sodium azide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; acetone; toluene; 4: Curtius rearrangement;
DOI:10.1016/S0960-894X(01)00492-9