Benzyl 2-(chlorosulfonyl)ethylcarbamate

Base Information

• Chemical Name: Benzyl 2-(chlorosulfonyl)ethylcarbamate
• CAS No.: 52530-50-4
• Molecular Formula: C10H12ClNO4S
• Molecular Weight: 277.729
• Hs Code.: 2924299090
• European Community (EC) Number: 830-880-9
• DSSTox Substance ID: DTXSID80532213
• Nikkaji Number: J1.383.206D
• Wikidata: Q82404644
• Mol file: 52530-50-4.mol

Synonyms:52530-50-4;BENZYL 2-(CHLOROSULFONYL)ETHYLCARBAMATE;benzyl (2-(chlorosulfonyl)ethyl)carbamate;benzyl N-[2-(chlorosulfonyl)ethyl]carbamate;benzyl N-(2-chlorosulfonylethyl)carbamate;Benzyl [2-(chlorosulfonyl)ethyl]carbamate;2-{[(Benzyloxy)carbonyl]amino}ethanesulfonyl Chloride;SCHEMBL2795077;DTXSID80532213;CRVCWUXOKRGDGD-UHFFFAOYSA-N;MFCD11226121;AB64016;2-benzyloxyformamidoethylsulfonyl chloride;benzyl(2-(chlorosulfonyl)ethyl)carbamate;EN300-115734;G37833;2-(N-benzoxycarbonylamino)ethanesulfonyl chloride;2-(N-benzyloxycarbonylamino)ethanesulfonyl chloride;2-(N-benzyloxycarbonylamino)-ethanesulfonyl chloride

Chemical Property of Benzyl 2-(chlorosulfonyl)ethylcarbamate

Chemical Property:

• PSA: 84.34000
• LogP: 2.76660
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 277.0175567
• Heavy Atom Count: 17
• Complexity: 333

Purity/Quality:

98% ^*data from raw suppliers

Benzyl2-(chlorosulfonyl)ethylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)Cl

Technology Process of Benzyl 2-(chlorosulfonyl)ethylcarbamate

There total 13 articles about Benzyl 2-(chlorosulfonyl)ethylcarbamate 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: 91.0%

N-Benzyloxycarbonyl-taurine sodium salt (136027-16-2) → benzyl (2-(chlorosulfonyl)ethyl)carbamate (52530-50-4)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 3h; Reflux;

Reference yield: 85.0%

Tau (107-35-7) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl (2-(chlorosulfonyl)ethyl)carbamate (52530-50-4)

Guidance literature:

Tau; With sodium hydroxide; at 20 ℃;

benzyl chloroformate; With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 1h;

In dichloromethane; N,N-dimethyl-formamide; toluene; at 20 ℃; for 1h;

DOI:10.1055/s-2000-7615

Reference yield:

2-{[(benzyloxy)carbonyl]-amino}ethanesulfonic acid (119225-23-9) → benzyl (2-(chlorosulfonyl)ethyl)carbamate (52530-50-4)

Guidance literature:

With thionyl chloride; In benzene;

DOI:10.1248/cpb.49.629

upstream raw materials:

2-Isocyanatoethansulfonsaeurechlorid

benzyl alcohol

N-Benzyloxycarbonyl-taurine sodium salt

Tau

Downstream raw materials:

(R)-2-(2-Benzyloxycarbonylamino-ethanesulfonylamino)-propionic acid

4-(2-{6-[(S)-2-(2-Benzyloxycarbonylamino-ethanesulfonylamino)-2-tert-butoxycarbonyl-ethylcarbamoyl]-1-oxo-1,3-dihydro-isoindol-2-yl}-ethyl)-piperidine-1-carboxylic acid tert-butyl ester

4-(4-{4-[2-(2-benzyloxycarbonylamino-ethanesulfonylamino)-2-carboxy-ethyl]-phenoxy}-butyl)-piperidine-1-carboxylic acid tert-butyl ester

Cbz-β-Ala-ψ[CH2SO2]-F

Refernces

• 1、 Bolarinwa, Olapeju,Zhang, Meng,Mulry, Erin,Lu, Min,Cai, Jianfeng. "Sulfono-γ-AA modified peptides that inhibit HIV-1 fusion". supporting information. p. 7878 - 7882. Retrieved 2018/11/21.
• 2、 Qiu, Kui,Wang, Rennan. "Tert -Butyl Hypochlorite Mediated Oxidative Chlorination of S -Alkylisothiourea Salts: Synthesis of Sulfonyl Chlorides". . p. 3186 - 3190. Retrieved 2015/10/19.