Tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-carbamothioylpiperidine-1-carboxylate
• CAS No.: 214834-18-1
• Molecular Formula: C11H20N2O2S
• Molecular Weight: 244.358
• Hs Code.: 2933399090
• European Community (EC) Number: 692-212-0
• DSSTox Substance ID: DTXSID40370855
• Wikidata: Q72510701
• Mol file: 214834-18-1.mol

Synonyms:214834-18-1;tert-butyl 4-carbamothioylpiperidine-1-carboxylate;tert-Butyl 4-(Aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;1-tert-Butoxycarbonylpiperidine-4-carbothioamide;TERT-BUTYL 4-THIOCARBAMOYLPIPERIDINE-1-CARBOXYLATE;N-BOC-Piperidine-4-thiocarboxamide;Piperidine-4-thiocarboxamide, N1-BOC protected;MFCD02180954;tert-butyl 4-Thiocarbamoyl-piperidine-1-carboxylate;1-Boc-4-thiocarbamoylpiperidine;SCHEMBL163922;DTXSID40370855;tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylate;SCGQNJHAAYUQOO-UHFFFAOYSA-N;BCP04448;1-Boc-4-aminothiocarbonyl piperidine;AKOS009157764;AB11458;CS-W004912;DS-0596;1-t-butyloxycarbonyl-isonipecot-thioamide;10N-311S;1-tert-butoxycarbonyl-4-piperidine thioamide;FT-0649574;EN300-64219;1-tert-butoxycarbonylpiperidine-4-thiocarboxamide;tert-butyl4-carbamothioylpiperidine-1-carboxylate;A815410;tert-Butyl-4-carbamothioylpiperidine-1-carboxylate;W-206635;4-thiocarbamoylpiperidine-1-carboxylic acid tert-butyl ester;1,1-dimethylethyl 4-(aminocarbonothioyl)-1-piperidinecarboxylate;1,1-Dimethylethyl 4-(aminocarbonothioyl)piperidine-1-carboxylate;4-THIOCARBAMOYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-butyl 4-(aminocarbothioyl)tetrahydropyridine-1-(2H)-carboxylate;tert-butyl-4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, AldrichCPR;tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate;1-Boc-4-Thiocarbamoylpiperidine

Chemical Property of Tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Chemical Property:

• Melting Point: 130 °C
• Boiling Point: 355.992 °C at 760 mmHg
• PKA: 13.03±0.20(Predicted)
• Flash Point: 169.098 °C
• PSA: 87.65000
• Density: 1.158 g/cm³
• LogP: 2.55780
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.12454906
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

1-tert-Butoxycarbonylpiperidine-4-carbothioamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn,N
• Statements: 20/21/22-36/37/38-22-50
• Safety Statements: 26-36/37/39-22-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N

Technology Process of Tert-butyl 4-carbamothioylpiperidine-1-carboxylate

There total 9 articles about Tert-butyl 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: 95.0%

1-tert-butoxycarbonyl-4-cyanopiperidine (91419-52-2) → tert-butyl 4-carbamothioylpiperidine-1-carboxylate (214834-18-1)

Guidance literature:

With sodium hydrogen sulfide; ammonium chloride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 72h;

Reference yield: 92.0%

4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester (91419-48-6) → tert-butyl 4-carbamothioylpiperidine-1-carboxylate (214834-18-1)

Guidance literature:

With Lawessons reagent; In 1,2-dimethoxyethane; dichloromethane; at 20 ℃;

Reference yield: 29.0%

→ tert-butyl 4-carbamothioylpiperidine-1-carboxylate (214834-18-1)

Guidance literature:

With Lawessons reagent; In toluene; at 80 ℃; for 16h; Inert atmosphere;

upstream raw materials:

4-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

4-carboxamidopiperidine

di-tert-butyl dicarbonate

Downstream raw materials:

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine

4-[4-(4-fluorophenyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester

4-[2-(1-tert-butoxycarbonylpiperidin-4-yl)-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-2-pyridylamine

4-[4-(4-tetrazol-1-ylphenoxymethyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Bian, Qiang,Zhao, Rui-Qi,Peng, Xing-Jie,Gao, Li-Jie,Zhou, Guo-Na,Yu, Shu-Jing,Zhao, Wei-Guang. "Design, Synthesis, and Fungicidal Activities of Novel Piperidyl Thiazole Derivatives Containing Oxime Ether or Oxime Ester Moieties". . p. 3848 - 3858. Retrieved 2021.
• 2、 Zuo, Zeping,Chen, Miaomiao,Shao, Xiaoni,Qian, Xinying,Liu, Xiaocong,Zhou, Xia,Xiang, Jiawei,Deng, Pengchi,Li, Yan,Jie, Hui,Liu, Chunqi,Cen, Xiaobo,Xie, Yongmei,Zhao, Yinglan. "Design and biological evaluation of tetrahydropyridine derivatives as novel human GPR119 agonists". supporting information. . Retrieved 2020/01/08.