beta-Alanine Benzyl Ester p-Toluenesulfonate

Base Information

• Chemical Name: beta-Alanine Benzyl Ester p-Toluenesulfonate
• CAS No.: 27019-47-2
• Molecular Formula: C10H13NO2^.C7H8NO3
• Molecular Weight: 351.423
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90542368
• Mol file: 27019-47-2.mol

Synonyms:27019-47-2;beta-Alanine Benzyl Ester p-Toluenesulfonate;beta-Alanine benzyl ester p-toluenesulfonate salt;H-beta-Ala-Obzl.TosOH;H-|A-Ala-Obzl.TosOH;Benzyl 3-aminopropanoate 4-methylbenzenesulfonate;H-beta-Ala-Obzl Tos;benzyl 3-aminopropanoate;4-methylbenzenesulfonic acid;MFCD00039061;B-alanine benzyl ester P-toluenesulfonate;beta-Alanine benzyl ester p-toluenesulfnate salt;H-beta-Ala-Obzl p-tosylate;H-beta-Alanine benzyl ester tosylate;H--Ala-OBzl p-tosylate;H-beta-Ala-OBzl.Tos-OH;SCHEMBL717926;DTXSID90542368;beta alanine benzyl ester tosylate;beta-alanine benzyl ester tosylate;FRHWYVGCFUQMJR-UHFFFAOYSA-N;AKOS015842545;CS-W009807;L-Alaninebenzyl ester4-toluenesulfonate;AS-12229;SY020901;Benzyl 3-aminopropanoate p-toluenesulfonate;beta -Alanine benzyl ester p-toluenesulfonate;beta-alanine benzyl ester p-toluenesulphonate;beta;-Alanine Benzyl Ester p-Toluenesulfonate;I(2)-Alanine benzyl ester p-toluenesulfnate salt;A818842;benzyl 3-aminopropionate p-toluenesulfonic acid salt;J-519842;beta-alanine-benzyl ester-p-toluenesulfonic acid salt;F2191-0289;3-amino-propionic acid benzyl ester toluene-4-sulfonic acid;4-Methylbenzene-1-sulfonic acid--benzyl beta-alaninate (1/1)

Chemical Property of beta-Alanine Benzyl Ester p-Toluenesulfonate

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 0.00236mmHg at 25°C
• Melting Point: 138-139 °C
• Boiling Point: 547.2 °C at 760 mmHg
• Flash Point: 284.7 °C
• PSA: 115.07000
• LogP: 4.10140
• Storage Temp.: −20°C
• Water Solubility.: very faint turbidity in hot Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 351.11404394
• Heavy Atom Count: 24
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

β-Alanine benzyl ester p-toluenesulfonate salt ^*data from reagent 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)CCN

Technology Process of beta-Alanine Benzyl Ester p-Toluenesulfonate

There total 2 articles about beta-Alanine Benzyl Ester p-Toluenesulfonate 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: 38.0%

→ chlorosulfuric acid chloromethyl ester (49715-04-0) + β-alanine benzyl ester p-toluenesulfonate (27019-47-2)

Guidance literature:

Reference yield:

→ β-alanine benzyl ester p-toluenesulfonate (27019-47-2)

Guidance literature:

Reference yield: 93.0%

β-alanine benzyl ester p-toluenesulfonate (27019-47-2) + N-tert-butoxycarbonyl-p-phenyl-L-phenylalanine (119273-61-9,128779-47-5,147923-08-8) → (S)--β-alanine benzyl ester (155873-50-0)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 19h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.08.064

Downstream raw materials:

3-((2S,3R)-3-Benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyrylamino)-propionic acid benzyl ester

N-(2,2-dimethylpropanoyl)-β-alanine

benzyl 3-(3-(tert-butoxycarbonylamino)propanamido)propanoate

N-[m-(1-t-butoxyformamido)benzoyl]-β-alanine benzyl ester

Refernces