Benzyl 6-aminohexanoate 4-methylbenzenesulfonate

Base Information

• Chemical Name: Benzyl 6-aminohexanoate 4-methylbenzenesulfonate
• CAS No.: 5514-99-8
• Molecular Formula: C15H10ClF3N2O4
• Molecular Weight: 393.504
• Mol file: 5514-99-8.mol

Synonyms:5514-99-8;Benzyl 6-aminohexanoate 4-methylbenzenesulfonate;N-benzo[1,3]dioxol-5-yl-2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide;starbld0017958;H-epsilon-ACP-OBzl.TosOH;SCHEMBL1365332;LYALXYNFZAQLQW-UHFFFAOYSA-N;AKOS024428905;SB83649;benzyl 6-aminohexanoate;4-methylbenzenesulfonic acid;6-amino-hexanoic acid benzyl ester toluene-4-sulfonic acid;6-(benzyloxy)-6-oxohexan-1-aminium 4-methylbenzenesulfonate;6-Amino-hexanoic acid benzyl ester, compound with toluene-4-sulfonic acid

Chemical Property of Benzyl 6-aminohexanoate 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 3.7E-11mmHg at 25°C
• Boiling Point: 526.1°Cat760mmHg
• Flash Point: 272°C
• Density: 1.6g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 393.16099414
• Heavy Atom Count: 27
• Complexity: 395

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCCCN

Technology Process of Benzyl 6-aminohexanoate 4-methylbenzenesulfonate

There total 2 articles about Benzyl 6-aminohexanoate 4-methylbenzenesulfonate 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: 99.6%

toluene-4-sulfonic acid (104-15-4) + benzyl alcohol (100-51-6,185532-71-2) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-amino-hexanoic acid benzyl ester toluene-4-sulfonic acid (5514-99-8)

Guidance literature:

In toluene; Reflux;

Reference yield:

→ 6-amino-hexanoic acid benzyl ester toluene-4-sulfonic acid (5514-99-8)

Guidance literature:

Reference yield: 98.0%

6-amino-hexanoic acid benzyl ester toluene-4-sulfonic acid (5514-99-8) + N,N'-di-t-butoxycarbonyl-3,5-dimetylpyrazolyl-1-carboxamidine (153114-31-9) → benzyl 6-(N,N'-diterbutoxycarbonyl)-guanidino-caproate (216502-83-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1016/S0968-0896(98)00083-2

upstream raw materials:

toluene-4-sulfonic acid

benzyl alcohol

6-aminohexanoic acid

Downstream raw materials:

N-Iodacetyl-ε-aminocapronsaeurebenzylester

benzyl N-(6',6''-di-tert-butyl-18β-glycyrrhizinyl)-ε-aminohexanoate

6-{[1-(3-tert-Butoxycarbonylamino-benzoyl)-piperidine-4-carbonyl]-amino}-hexanoic acid benzyl ester

benzyl 6-(N,N'-diterbutoxycarbonyl)-guanidino-caproate