(R)-4-(Boc-amino)-6-methylheptanoic acid

Base Information

• Chemical Name: (R)-4-(Boc-amino)-6-methylheptanoic acid
• CAS No.: 146453-32-9
• Molecular Formula: C13H25 N O4
• Molecular Weight: 259.34
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID90373179
• Nikkaji Number: J886.277J
• Wikidata: Q72509867
• Mol file: 146453-32-9.mol

Synonyms:146453-32-9;(R)-4-(Boc-amino)-6-methylheptanoic acid;(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoic acid;Boc-(R)-4-amino-6-methyl-heptanoic acid;(4R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid;SCHEMBL7434716;(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoicacid;DTXSID90373179;MFCD01074530;AKOS015893120;BS-21424;CS-0204490;(4R)-4-(tert-Butoxycarbonylamino)-6-methylheptanoic acid;(4R)-4-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid;(R)-4-(Boc-amino)-6-methylheptanoic acid, >=98.0% (TLC);(4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-6-METHYLHEPTANOIC ACID

Chemical Property of (R)-4-(Boc-amino)-6-methylheptanoic acid

Chemical Property:

• Melting Point: 110-111℃
• PSA: 75.63000
• Density: 1.033
• LogP: 3.18150
• Storage Temp.: Store at -15°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 259.17835828
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

(R)-4-(Boc-amino)-6-methylheptanoic acid ≥98.0% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-4-(Boc-amino)-6-methylheptanoic acid

There total 21 articles about (R)-4-(Boc-amino)-6-methylheptanoic 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: 100.0%

C13H23NO4 → (R)-4-([(tert-butoxy)carbonyl]amino)-6-methylheptanoic acid (146453-32-9)

Guidance literature:

With palladium on carbon; hydrogen; In ethanol; for 2h; Inert atmosphere;

DOI:10.1002/cmdc.201700370

Reference yield: 79.0%

ethyl (4R)-4-[(tert-butoxycarbonyl)amino]-6-methylheptanoate → (R)-4-([(tert-butoxy)carbonyl]amino)-6-methylheptanoic acid (146453-32-9)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jo1001033

Reference yield: 73.0%

(R)-tert-butyl 2-isobutyl-5-oxopyrrolidine-1-carboxylate (197006-11-4) → (R)-4-([(tert-butoxy)carbonyl]amino)-6-methylheptanoic acid (146453-32-9)

Guidance literature:

With sodium hydroxide; In water; acetone; at 22 ℃; for 0.5h;

DOI:10.1016/S0040-4020(97)00840-5

upstream raw materials:

(R)-methyl 4-[(tert-butyloxycarbonyl)amino]-6-methylheptanoate

(R)-tert-butyl 2-isobutyl-5-oxopyrrolidine-1-carboxylate

[(R)-3-methyl-1-phenethylbutyl]carbamic acid tert-butyl ester

[(S,E)-3-methyl-1-styrylbutyl]carbamic acid tert-butyl ester

Downstream raw materials:

(R)-4-((S)-4-tert-Butoxycarbonylamino-pentanoylamino)-6-methyl-heptanoic acid benzyl ester

(R)-4-[(S)-4-((R)-4-tert-Butoxycarbonylamino-5-methyl-hexanoylamino)-pentanoylamino]-6-methyl-heptanoic acid benzyl ester

(R)-4-[(S)-4-((R)-4-{(R)-4-[(S)-4-((R)-4-tert-Butoxycarbonylamino-5-methyl-hexanoylamino)-pentanoylamino]-6-methyl-heptanoylamino}-5-methyl-hexanoylamino)-pentanoylamino]-6-methyl-heptanoic acid benzyl ester

(R)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-methylheptanoic acid