Benzyl 4-aminobutanoate 4-methylbenzenesulfonate

Base Information

• Chemical Name: Benzyl 4-aminobutanoate 4-methylbenzenesulfonate
• CAS No.: 26727-22-0
• Molecular Formula: C18H23NO5S
• Molecular Weight: 365.45
• European Community (EC) Number: 965-199-7
• DSSTox Substance ID: DTXSID10602135
• Mol file: 26727-22-0.mol

Synonyms:26727-22-0;Benzyl 4-aminobutanoate 4-methylbenzenesulfonate;H-|A-Abu-Obzl.TosOH;benzyl 4-aminobutanoate para-toluene sulfonate;H-gamma-Abu-OBzl p-tosylate;gamma-Aminobutyric acid benzyl ester p-tosylate;MFCD03424226;benzyl 4-aminobutanoate;4-methylbenzenesulfonic acid;H-GABA-OBzl . p-tosylate;C18H23NO5S;H-Abu-Obzl.TosOH;H--Abu-OBzl p-tosylate;H?-Abu-OBzl.p-tosylate;H-Abu(4)-OBzl.Tos-OH;H-GABA-OBzl p-tosylate;SCHEMBL1363911;DTXSID10602135;AVEADJJUOBFQIQ-UHFFFAOYSA-N;AKOS016002989;Benzyl 4-aminobutanoate p-toluenesulfonate;BS-42365;SY105775;4-Aminobutyric acid benzyl ester p-tosylate;CS-0156248;D94846;EN300-1228874;J-300321;4-methylbenzene-1-sulfonic acid;4-amino-butyric acid benzyl ester toluene-4-sulfonic acid;4-Methylbenzene-1-sulfonic acid--benzyl 4-aminobutanoate (1/1)

Chemical Property of Benzyl 4-aminobutanoate 4-methylbenzenesulfonate

Chemical Property:

• PSA: 115.07000
• LogP: 4.49150
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 365.12969401
• Heavy Atom Count: 25
• Complexity: 371

Purity/Quality:

97% ^*data from raw suppliers

Benzyl 4-aminobutanoate 4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl 4-aminobutanoate 4-methylbenzenesulfonate

There total 2 articles about Benzyl 4-aminobutanoate 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: 99.0%

toluene-4-sulfonic acid (104-15-4) + benzyl alcohol (100-51-6,185532-71-2) + 4-amino-n-butyric acid (56-12-2) → 4-(benzyloxy)-4-oxobutan-1-aminium 4-methylbenzenesulfonate (26727-22-0)

Guidance literature:

In toluene; for 5h; Reflux;

DOI:10.1016/j.tet.2017.10.069

Reference yield: 98.0%

benzyl alcohol (100-51-6,185532-71-2) + 4-amino-n-butyric acid (56-12-2) → 4-(benzyloxy)-4-oxobutan-1-aminium 4-methylbenzenesulfonate (26727-22-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 5h; Reflux; Dean-Stark;

Reference yield: 99.0%

4-(Cyclohexyloxy)benzoic acid (139-61-7) + 4-(benzyloxy)-4-oxobutan-1-aminium 4-methylbenzenesulfonate (26727-22-0) → benzyl 4-(4-(cyclohexyloxy)benzamido)butanoate

Guidance literature:

4-(Cyclohexyloxy)benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 1h; Inert atmosphere; Schlenk technique;

4-(benzyloxy)-4-oxobutan-1-aminium 4-methylbenzenesulfonate; In dichloromethane; at 21 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201403836

upstream raw materials:

toluene-4-sulfonic acid

benzyl alcohol

4-amino-n-butyric acid

Downstream raw materials:

N-Iodacetyl-γ-aminobuttersaeurebenzylester

Z-Gly-γAbu-OBzl

Z-Val-γAbu-OBzl

Z-Leu-γAbu-OBzl

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