DIMETHYL CYSTINATE

Base Information

• Chemical Name: DIMETHYL CYSTINATE
• CAS No.: 1069-29-0
• Molecular Formula: C8H16 N2 O4 S2
• Molecular Weight: 268.358
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80910173
• Mol file: 1069-29-0.mol

Synonyms:Cystine,dimethyl ester, L- (7CI,8CI);L-Cystine, dimethyl ester (9CI);Cystine dimethylester;

Chemical Property of DIMETHYL CYSTINATE

Chemical Property:

• Vapor Pressure: 7.75E-06mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 375.491°C at 760 mmHg
• Flash Point: 180.891°C
• PSA: 155.24000
• Density: 1.318g/cm3
• LogP: 0.76900
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 268.05514934
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

L-CYSTINE DIMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CSSCC(C(=O)OC)N)N

Technology Process of DIMETHYL CYSTINATE

There total 11 articles about DIMETHYL CYSTINATE 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%

N,N'-bis(tert-butoxy)carbonyl-L-cystine dimethyl ester (77826-55-2) → L-cystine dimethyl ester (1069-29-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; water; at 0 ℃; for 2h;

DOI:10.1021/jacs.0c00252

Reference yield: 98.0%

methanol (67-56-1) + L-cystine (56-89-3) → L-cystine dimethyl ester (1069-29-0)

Guidance literature:

With thionyl chloride; for 12.5h; Cooling with ice;

Reference yield: 96.0%

L-Cysteine methyl ester (2485-62-3) → L-cystine dimethyl ester (1069-29-0)

Guidance literature:

borohydride exchange resin (Amberlit IRA-400); copper(II) sulfate; In methanol; for 3h; Ambient temperature;

DOI:10.1021/jo00116a001

upstream raw materials:

hydrogenchloride

L-cystine

methanol

cysteine disulfide

Downstream raw materials:

C₃₆H₃₈N₈O₁₀S₄

3-chloro-2-acetylamino-propionic acid methylester

methyl (6S,9R,14R)-6-benzyl-14-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)-9-(methoxycarbonyl)-2,2-dimethyl-4,7-dioxo-3-oxa-11,12-dithia-5,8-diazapentadecan-15-oate

L-alanin

Refernces

• 1、 Anantharaj, Santhanaraj,Jayakannan, Manickam. "Melt polycondensation approach for reduction degradable helical polyester based on l-cystine". . p. 2864 - 2875. Retrieved 2016.
• 2、 Castro-Falcón, Gabriel,Hahn, Dongyup,Reimer, Daniela,Hughes, Chambers C.. "Thiol Probes to Detect Electrophilic Natural Products Based on Their Mechanism of Action". . p. 2328 - 2336. Retrieved 2016.
• 3、 Kratch, Kaci C.,Leeuwon, Sunshine Z.,Liu, Wenshe Ray,Morse, Jared S.,Qiao, Yuchen,Wang, Wesley Wei,Wang, Xiaoyan Aria,Xu, Shiqing,Yu, Ge. "Expressed Protein Ligation without Intein". . p. 7047 - 7054. Retrieved 2020/05/14.
• 4、 -. "Preparation method of D-biotin intermediate". Paragraph 0016. . Retrieved 2016/11/28.