Boc-Ser(Tos)-OBzl

Base Information

• Chemical Name: Boc-Ser(Tos)-OBzl
• CAS No.: 94882-74-3
• Molecular Formula: C22H27 N O7 S
• Molecular Weight: 449.525
• Hs Code.: 2924299090
• European Community (EC) Number: 623-274-9
• DSSTox Substance ID: DTXSID10577536
• Wikidata: Q76506882
• Mol file: 94882-74-3.mol

Synonyms:Boc-Ser(Tos)-OBzl;94882-74-3;benzyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;DTXSID10577536;Benzyl N-(tert-butoxycarbonyl)-O-(4-methylbenzene-1-sulfonyl)-L-serinate

Chemical Property of Boc-Ser(Tos)-OBzl

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 603.703°C at 760 mmHg
• Flash Point: 318.908°C
• PSA: 116.38000
• Density: 1.239g/cm³
• LogP: 4.80870
• Storage Temp.: ?20°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 449.15082337
• Heavy Atom Count: 31
• Complexity: 682

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Technology Process of Boc-Ser(Tos)-OBzl

There total 7 articles about Boc-Ser(Tos)-OBzl 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: 86.0%

N-tert-butoxycarbonyl-L-serine benzyl ester (59524-02-6) + p-toluenesulfonyl chloride (98-59-9) → benzyl 2(S)-(tert-butoxycarbonylamino)-3-p-toluenesulfonylpropionate (94882-74-3)

Guidance literature:

With pyridine;

DOI:10.1055/s-1997-742

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → benzyl 2(S)-(tert-butoxycarbonylamino)-3-p-toluenesulfonylpropionate (94882-74-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent

2: 85 percent / pyridine

With pyridine;

Reference yield:

L-serine benzyl ester benzenesulfonate salt (3695-68-9) → benzyl 2(S)-(tert-butoxycarbonylamino)-3-p-toluenesulfonylpropionate (94882-74-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent

2: 85 percent / pyridine

With pyridine;

upstream raw materials:

N-tert-butoxycarbonyl-L-serine benzyl ester

p-toluenesulfonyl chloride

di-tert-butyl dicarbonate

L-serine benzyl ester benzenesulfonate salt

Downstream raw materials:

benzyl (2-t-butoxycarbonylamino)acrylate

(R)-N-(tert-butoxycarbonyl)-3-iodoalanine benzyl ester

3-(3-benzoyl-5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-tert-butoxycarbonylaminopropionic acid benzyl ester

3-(3-benzoyl-5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetylamino]propionic acid benzyl ester