Thiophen-2-ylmethyl-carbamic acid tert-butyl ester

Base Information

• Chemical Name: Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
• CAS No.: 401485-19-6
• Molecular Formula: C10H15 N O2 S
• Molecular Weight: 213.301
• European Community (EC) Number: 803-755-1
• Nikkaji Number: J2.989.612G
• Mol file: 401485-19-6.mol

Synonyms:401485-19-6;Thiophen-2-ylmethyl-carbamic acid tert-butyl ester;tert-butyl N-(thiophen-2-ylmethyl)carbamate;C10H15NO2S;tert-butyl thiophen-2-ylmethylcarbamate;tert-butyl 2-thienylmethylcarbamate;tert-butyl (thiophen-2-ylmethyl)carbamate;SCHEMBL1163822;N-Boc-2-(aminomethyl)thiophene;PJYFEMRXRXRMSS-UHFFFAOYSA-N;HMS1700A04;tert-butyl-2-thienylmethylcarbamate;BRA48519;t-Butyl thiophen-2-ylmethylcarbamate;Carbamic acid, (2-thienylmethyl)-, 1,1-dimethylethyl ester (9CI);MFCD07127744;AKOS000501385;N-Boc-2-(aminomethyl)thiophene, 97%;SB37046;AS-44442;CS-0340610;tert-butyl N-[(thiophen-2-yl)methyl]carbamate;AN-329/43341685

Chemical Property of Thiophen-2-ylmethyl-carbamic acid tert-butyl ester

Chemical Property:

• Melting Point: 44-49°C
• Flash Point: >110℃
• PSA: 66.57000
• LogP: 3.16370
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99%min ^*data from raw suppliers

tert-ButylN-(thiophen-2-ylmethyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=CC=CS1

Technology Process of Thiophen-2-ylmethyl-carbamic acid tert-butyl ester

There total 13 articles about Thiophen-2-ylmethyl-carbamic acid tert-butyl ester 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: 99.1%

2-Aminomethylthiophene (27757-85-3) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-(thiophen-2-ylmethyl)carbamate (401485-19-6)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield: 98.0%

2-Aminomethylthiophene (27757-85-3) + tert-butyldicarbonate (34619-03-9) → tert-butyl N-(thiophen-2-ylmethyl)carbamate (401485-19-6)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water; at 0 ℃; for 2h;

DOI:10.1039/c2cc35758e

Reference yield: 80.0%

thiophene-2-carbonitrile (1003-31-2) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-(thiophen-2-ylmethyl)carbamate (401485-19-6)

Guidance literature:

thiophene-2-carbonitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

di-tert-butyl dicarbonate; at 20 ℃; for 1h;

upstream raw materials:

2-Aminomethylthiophene

di-tert-butyl dicarbonate

diazomethane

carbon dioxide

Downstream raw materials:

6,7-dimethoxy-N-((thiophen-2-yl)methyl)quinazolin-4-amine

2-Aminomethylthiophene

(5-bromothiophen-2-yl) methanamine

(5-bromo-2-thienyl)methanamine hydrochloride

Refernces

• 1、 Hu, Xianglong,Wan, Baojie,Liu, Yang,Shen, Jiayi,Franzblau, Scott G.,Zhang, Tianyu,Ding, Ke,Lu, Xiaoyun. "Identification of Pyrazolo[1,5- a]pyridine-3-carboxamide Diaryl Derivatives as Drug Resistant Antituberculosis Agents". . p. 295 - 299. Retrieved 2019.
• 2、 Rajadurai, Marina,Reddy, E. Ramanjaneya. "Tuning the sensitivity towards mercury: Via cooperative binding to d-fructose: Dual fluorescent chemosensor based on 1,8-naphthyridine-boronic acid derivative". . p. 14862 - 14870. Retrieved 2021/05/19.