L-Serine benzyl ester benzenesulfonate (salt)

Base Information

• Chemical Name: L-Serine benzyl ester benzenesulfonate (salt)
• CAS No.: 3695-68-9
• Molecular Formula: C10H13NO3.C6H6O3S
• Molecular Weight: 353.396
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID10526105
• Mol file: 3695-68-9.mol

Synonyms:3695-68-9;L-Serine benzyl ester benzenesulfonate (salt);Benzenesulfonic acid;benzyl (2S)-2-amino-3-hydroxypropanoate;SCHEMBL12614965;DTXSID10526105;Benzyl L-serinate benzenesulfonate;HY-W142088;L-Serine benzyl ester benzenesulfonate(;L-Serine benzyl ester benzenesulfonate salt;CS-0201872;Benzenesulfonic acid--benzyl L-serinate (1/1);L-Serine benzyl ester benzenesulfonate (salt), >=98.0% (HPLC)

Chemical Property of L-Serine benzyl ester benzenesulfonate (salt)

Chemical Property:

• PSA: 135.30000
• LogP: 2.76380
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 353.09330850
• Heavy Atom Count: 24
• Complexity: 362

Purity/Quality:

95% ^*data from raw suppliers

L-Serine benzyl ester benzenesulfonate (salt) ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C(CO)N.C1=CC=C(C=C1)S(=O)(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CO)N.C1=CC=C(C=C1)S(=O)(=O)O

Technology Process of L-Serine benzyl ester benzenesulfonate (salt)

There total 1 articles about L-Serine benzyl ester benzenesulfonate (salt) 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: 85.0%

L-serin (56-45-1,83245-15-2) + benzenesulfonic acid (98-11-3) + benzyl alcohol (100-51-6,185532-71-2) → L-serine benzyl ester benzenesulfonate salt (3695-68-9)

Guidance literature:

In benzene; for 5h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetasy.2011.03.002

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + L-serine benzyl ester benzenesulfonate salt (3695-68-9) → N-tert-butoxycarbonyl-L-serine benzyl ester (59524-02-6)

Guidance literature:

Reference yield: 91.0%

L-serine benzyl ester benzenesulfonate salt (3695-68-9) + (2S)-2-tert-butoxycarbonylamino-3-(tert-butyldimethylsilanyloxy)propionic acid (123254-10-4,90181-25-2) → 2-[2-tert-butoxycarbonylamino-3-(tert-butyl-dimethyl-silanyloxy)-propionylamino]-3-hydroxy-propionic acid benzyl ester (440369-80-2)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 12h;

DOI:10.1016/S0040-4039(02)00284-8

upstream raw materials:

L-serin

benzenesulfonic acid

benzyl alcohol

Downstream raw materials:

(S)-3-Benzyloxycarbonylamino-N-((S)-1-benzyloxycarbonyl-2-hydroxy-ethyl)-succinamic acid benzyl ester

2-benzyloxycarbonylamino-4-(1-benzyloxycarbonyl-2-hydroxyethylcarbamoyl)butyric acid benzyl ester

(S)-2-(2-Benzyloxycarbonylamino-acetylamino)-3-hydroxy-propionic acid benzyl ester

N-tert-butoxycarbonyl-L-serine benzyl ester