Benzyl 4-carbamothioylpiperidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 4-carbamothioylpiperidine-1-carboxylate
• CAS No.: 167757-46-2
• Molecular Formula: C14H18N2O2S
• Molecular Weight: 278.375
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60596979
• Wikidata: Q82492421
• Mol file: 167757-46-2.mol

Synonyms:167757-46-2;benzyl 4-carbamothioylpiperidine-1-carboxylate;Benzyl 4-[amino(thiocarbonyl)]piperidine-1-carboxylate;Piperidine-4-thiocarboxamide, N1-CBZ protected;Benzyl 4-(Aminocarbonothioyl)-piperidine-1-carboxylate;SCHEMBL3599930;DTXSID60596979;NOXHDLSQVLNVJA-UHFFFAOYSA-N;MFCD09702422;AKOS015912253;AB51070;AM803308;DB-064658;CS-0447885;Benzyl-4-carbamothioylpiperidine-1-carboxylate;BENZYL 4-(AMINOCARBONOTHIOYL)PIPERIDINE-1-CARBOXYLATE;1-Piperidinecarboxylicacid,4-(aminothioxomethyl)-,phenylmethyl ester

Chemical Property of Benzyl 4-carbamothioylpiperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 5.24E-08mmHg at 25°C
• Melting Point: 128 °C
• Refractive Index: 1.614
• Boiling Point: 441.9 °C at 760 mmHg
• Flash Point: 221.1 °C
• PSA: 87.65000
• Density: 1.253g/cm³
• LogP: 2.95950
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.10889899
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

Piperidine-4-thiocarboxamide, N1-Cbz protected 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=S)N)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 4-carbamothioylpiperidine-1-carboxylate

There total 4 articles about Benzyl 4-carbamothioylpiperidine-1-carboxylate 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:

Lawessons reagent (19172-47-5,94367-93-8) + 4-Carbamoylpiperidine-1-carboxylic acid benzyl ester (167757-45-1) → benzyl-4-carbamothioylpiperidine-1-carboxylate (167757-46-2)

Guidance literature:

In tetrahydrofuran;

Reference yield:

4-carboxamidopiperidine (39546-32-2) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl-4-carbamothioylpiperidine-1-carboxylate (167757-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; acetone / 20 °C / pH 6 - 8

2: Lawessons reagent / tetrahydrofuran / 4 h

With Lawessons reagent; sodium hydroxide; In tetrahydrofuran; water; acetone;

Reference yield:

4-carboxamidopiperidine (39546-32-2) + phenyl chloroformate (1885-14-9) → benzyl-4-carbamothioylpiperidine-1-carboxylate (167757-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; acetone / 3 h / 20 °C / pH 6- 8

2: Lawessons reagent / tetrahydrofuran / 4 h

With Lawessons reagent; sodium hydroxide; In tetrahydrofuran; water; acetone;

upstream raw materials:

Lawessons reagent

4-Carbamoylpiperidine-1-carboxylic acid benzyl ester

4-carboxamidopiperidine

benzyl chloroformate

Downstream raw materials:

C₁₆H₁₈N₂O₂S

2-[1-(phenylmethoxycarbonyl)-4-piperidyl]-4-ethoxycarbonyl-1,3-thiazole

2,5-difluoro-N-{2-fluoro-3-[2-(1-methylpiperidin-4-yl)-5-(pyridin-4-yl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide

benzyl-4-[4-(3-{[(2,5-difluorophenyl)sulfonyl](methoxymethyl)amino}-2-fluorophenyl)-5-(pyridin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate