Boc-NH-ethyl-SS-propionic acid

Base Information

• Chemical Name: Boc-NH-ethyl-SS-propionic acid
• CAS No.: 485800-27-9
• Molecular Formula: C10H19NO4S2
• Molecular Weight: 281.397
• DSSTox Substance ID: DTXSID801154476
• Mol file: 485800-27-9.mol

Synonyms:485800-27-9;Boc-NH-ethyl-SS-propionic acid;3-((2-((tert-Butoxycarbonyl)amino)ethyl)disulfanyl)propanoic acid;3-((2-(tert-butoxycarbonylamino)ethyl)disulfanyl)propanoic acid;Boc-SS-Linker;LCZC1192;SCHEMBL1785039;C10H19NO4S2;DTXSID801154476;MFCD19443373;Propanoic acid, 3-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]dithio]-;BP-23116;PD171216;HY-140116;CS-0115530;3-((2-(Boc-amino)ethyl)disulfanyl)propanoic acid;3-((2-((tert-Butoxycarbonyl)amino)ethyl)disulfanyl)propanoicacid;3-[[2-[[(1,1-Dimethylethoxy)carbonyl]amino]ethyl]dithio]propanoic acid;3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]propanoic acid

Chemical Property of Boc-NH-ethyl-SS-propionic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 281.07555043
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

>98.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCSSCCC(=O)O

Technology Process of Boc-NH-ethyl-SS-propionic acid

There total 6 articles about Boc-NH-ethyl-SS-propionic acid 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: 75.0%

3-(2-pyridyldithio)propionic acid (68617-64-1) + 2-[(tert-butoxycarbonyl)amino]-1-ethanethiol (67385-09-5) → 3-((2-(tert-butoxycarbonylamino)ethyl)disulfanyl)propanoic acid (485800-27-9)

Guidance literature:

In ethanol; at 20 ℃; for 6h;

DOI:10.1021/ml4001003

Reference yield: 70.0%

2-[(tert-butoxycarbonyl)amino]-1-ethanethiol (67385-09-5) + 3-mercaptopropionic acid (107-96-0) → 3-((2-(tert-butoxycarbonylamino)ethyl)disulfanyl)propanoic acid (485800-27-9)

Guidance literature:

In dimethyl sulfoxide; at 70 ℃; for 24h; Inert atmosphere;

Reference yield: 40.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-<(2-aminoethyl)dithio>propionic acid (15579-00-7) → 3-((2-(tert-butoxycarbonylamino)ethyl)disulfanyl)propanoic acid (485800-27-9)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃; for 24h;

DOI:10.5012/bkcs.2014.35.2.383

upstream raw materials:

di-tert-butyl dicarbonate

di-tert-butyl(disulfanediylbis(ethane-2,1-diyl))dicarbamate

3-mercaptopropionic acid

3-(2-pyridyldithio)propionic acid

Downstream raw materials:

C₄₄H₅₁N₇O₇S₂

2,3,5,6-tetrafluorophenyl 3-((2-(tert-butoxycarbonylamino)ethyl)disulfanyl)propanoate

C₂₁H₃₉N₅O₅S₃

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