CID 11024199

Base Information

• Chemical Name: CID 11024199
• CAS No.: 1738-76-7
• Molecular Formula: C9H11NO2^.C7H8O3S
• Molecular Weight: 337.397
• Hs Code.: 29225090
• Mol file: 1738-76-7.mol

Synonyms:AKOS038557163

Chemical Property of CID 11024199

Chemical Property:

• Appearance/Colour: White to off-white microcrystalline powder
• Vapor Pressure: 0.0285mmHg at 25°C
• Melting Point: 132-134 °C
• Boiling Point: 245.5 °C at 760 mmHg
• Flash Point: 110.3 °C
• PSA: 115.07000
• LogP: 3.71130
• Storage Temp.: −20°C
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 337.09839388
• Heavy Atom Count: 23
• Complexity: 335

Purity/Quality:

99% ^*data from raw suppliers

glycine benzyl ester p-toluenesulfonate salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

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)C[NH3+]
• Uses: Racecodotril intermediate Glycine benzyl ester p-toluenesulfonate salt is a potent crosslinking inhibitor.

Technology Process of CID 11024199

There total 6 articles about CID 11024199 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) + glycine (56-40-6,18875-39-3,25718-94-9) + benzyl alcohol (100-51-6,185532-71-2) → glycine benzyl ester p-toluenesulfonic acid salt (1738-76-7)

Guidance literature:

In benzene; Heating;

DOI:10.1016/j.bmc.2004.10.006

Reference yield: 97.0%

glycine (56-40-6,18875-39-3,25718-94-9) + benzyl alcohol (100-51-6,185532-71-2) → glycine benzyl ester p-toluenesulfonic acid salt (1738-76-7)

Guidance literature:

With toluene-4-sulfonic acid; p-toluenesulfonyl chloride;

DOI:10.1021/jo00149a024

Reference yield: 77.0%

p-toluenesulfonyl chloride (98-59-9) + glycine (56-40-6,18875-39-3,25718-94-9) + benzyl alcohol (100-51-6,185532-71-2) → glycine benzyl ester p-toluenesulfonic acid salt (1738-76-7)

Guidance literature:

In benzene;

DOI:10.1039/b103887g

upstream raw materials:

toluene-4-sulfonic acid

glycine

benzyl alcohol

p-toluenesulfonyl chloride

Downstream raw materials:

N-(N-benzyloxycarbonyl-DL-alanyl)-glycine benzyl ester

N^α-tert-butyloxycarbonyl-N^G-nitroarginylglycine benzyl ester

Trt-Trp-Gly-OBzl

(Benzyloxycarbonyl-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl}-amino)-acetic acid benzyl ester

Refernces

• 1、 Brotsman, Victor A.,Ioutsi, Vitaliy A.,Rybalchenko, Alexey V.,Markov, Vitaliy Yu.,Belov, Nikita M.,Lukonina, Natalia S.,Troyanov, Sergey I.,Ioffe, Ilya N.,Trukhanov, Vasiliy A.,Galimova, Galina K.,Mannanov, Artur A.,Zubov, Dmitry N.,Kemnitz, Erhard,Sidorov, Lev N.,Magdesieva, Tatiana V.,Paraschuk, Dmitry Yu.,Goryunkov, Alexey A.. "Tightly Bound Double-Caged [60]Fullerene Derivatives with Enhanced Solubility: Structural Features and Application in Solar Cells". . p. 1075 - 1086. Retrieved 2017.
• 2、 De Souza, Mariana L.,De Oliveira Rezende Junior, Celso,Ferreira, Rafaela S.,Espinoza Chávez, Rocio Marisol,Ferreira, Leonardo L. G.,Slafer, Brian W.,Magalh?es, Luma G.,Krogh, Renata,Oliva, Glaucius,Cruz, Fabio Cardoso,Dias, Luiz Carlos,Andricopulo, Adriano D.. "Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach". . p. 1028 - 1041. Retrieved 2019/12/27.
• 3、 Priem, Christoph,Geyer, Armin. "Synthetic Marine Sponge Collagen by Late-Stage Dihydroxylation". supporting information. p. 162 - 165. Retrieved 2018/01/17.