(S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid
• CAS No.: 183990-48-9
• Molecular Formula: C₁₀H₁₉NO₄
• Molecular Weight: 217.265
• European Community (EC) Number: 959-682-1
• Nikkaji Number: J1.917.735A
• Mol file: 183990-48-9.mol

Synonyms:183990-48-9;(S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid;PENTANOIC ACID, 3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (3S)- (9CI);(3S)-3-{[(tert-butoxy)carbonyl]amino}pentanoic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-(9CI);Boc-Ape(3)-OH;(S)-3-(Boc-amino)pentanoic acid;MFCD08275907;(S)-3-[(t-Butoxycarbonyl)amino]pentanoic acid;SCHEMBL4981261;(S)-3-Boc-aminopentanoic acid;AKOS027401147;AS-72482;CS-0196912;EN300-768669;F21502;(S)-3-((tert-Butoxycarbonyl)amino)pentanoicacid;Pentanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-,(3S)-(9ci)

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid

Chemical Property:

• Melting Point: 88-89 °C
• Boiling Point: 353.0±25.0 °C(Predicted)
• PKA: 4.45±0.10(Predicted)
• PSA: 75.63000
• Density: 1.081±0.06 g/cm3(Predicted)
• LogP: 2.15530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 217.13140809
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

≥ 95% ^*data from raw suppliers

(3R)-3-[(tert-Butoxycarbonyl)amino]pentanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

Technology Process of (S)-3-((tert-Butoxycarbonyl)amino)pentanoic acid

There total 16 articles about (S)-3-((tert-Butoxycarbonyl)amino)pentanoic 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: 92.0%

((1S,3R)-1-Ethyl-3,4-dihydroxy-butyl)-carbamic acid tert-butyl ester (623582-56-9) → (S)-3-(N-tert-butoxycarbonylamino)pentanoic acid (183990-48-9,557091-78-8)

Guidance literature:

With sodium periodate; ruthenium trichloride; In water; acetonitrile; at 20 ℃; for 0.75h;

DOI:10.1021/jo034940o

Reference yield: 70.0%

[(1SR,3RS,4RS)-1-ethyl-3,4-dihydroxy-pentyl]-carbamic acid tert-butyl ester → N-(tert-butoxycarbonyl)-3-aminopentanoic acid (183990-48-9,557091-78-8)

Guidance literature:

With ruthenium trichloride; sodium periodate; In tetrachloromethane; acetonitrile; at 20 ℃;

DOI:10.1021/ja0298747

Reference yield: 42.0%

di-tert-butyl dicarbonate (24424-99-5) + methyl 3-(2,2,2-trifluoroacetylamino)pentanoate → (3R)-3-(tert-butoxycarbonylamino)pentanoic acid (183990-48-9,557091-78-8)

Guidance literature:

methyl 3-(2,2,2-trifluoroacetylamino)pentanoate; With potassium carbonate; In methanol; water; at 20 ℃; for 6h;

di-tert-butyl dicarbonate; With sodium carbonate; In water; acetone; at 20 ℃; for 3h; Further stages.;

DOI:10.1021/ja016492c

upstream raw materials:

carbon dioxide

((R)-1-Chloromethyl-propyl)-carbamic acid tert-butyl ester

di-tert-butyl dicarbonate

(R)-dimethyl 2-((2,2,2-trifluoroacetylamino)propyl)propane-1,3-dioate

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