Z-Arg(Mtr)-OH.CHA

Base Information

• Chemical Name: Z-Arg(Mtr)-OH.CHA
• CAS No.: 80745-09-1
• Molecular Formula: C30H45N5O7S
• Molecular Weight: 619.783
• European Community (EC) Number: 617-158-7
• DSSTox Substance ID: DTXSID40539006
• Mol file: 80745-09-1.mol

Synonyms:80745-09-1;Z-Arg(Mtr)-OH.CHA;Z-Arg(Mtr)-OH CHA;Z-Arg(Mtr)-OH cyclohexylammonium salt;(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine;cyclohexanamine (S)-2-(benzyloxycarbonylamino)-5-(3-(4-methoxy-2,3,6-trimethylphenylsulfonyl)guanidino)pentanoate;MFCD00057997;Z-Arg(Mtr)-OH inverted exclamation mark currencyCHA;DTXSID40539006;Z-Arg(Mtr)-OH ?A currency CHA;AMY22603;AKOS016002142;CS-W011427;HY-W010711;D82403;Z-Arg(Mtr)-OH inverted exclamation mark currency CHA;Z-Arg(Mtr)-OH cyclohexylammonium salt, >=98.0% (TLC);(E)-N~5~-{Amino[(4-methoxy-2,3,6-trimethylbenzene-1-sulfonyl)amino]methylidene}-N~2~-[(benzyloxy)carbonyl]-L-ornithine--cyclohexanamine (1/1);N-alpha-BenZyloxycarbonyl-N'-(4-methoxy-2,3,6-trimethylphenyl-sulfonyl)-L-arginine cyclohexylamine (CbZ-L-Arg(Mtr)-OH.CHA);N2-((Benzyloxy)carbonyl)-Nw-((4-methoxy-2,3,6-trimethylphenyl)sulfonyl)-L-arginine cyclohexylammonium salt;Nalpha-Z-Nomega-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-D-arginine cyclohexylammonium salt

Chemical Property of Z-Arg(Mtr)-OH.CHA

Chemical Property:

• Vapor Pressure: 4.07E-27mmHg at 25°C
• Melting Point: 196-199 °C
• Boiling Point: 801.6 °C at 760 mmHg
• Flash Point: 438.6 °C
• PSA: 201.31000
• LogP: 6.91420
• Storage Temp.: Store at RT.
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 619.30396997
• Heavy Atom Count: 43
• Complexity: 901

Purity/Quality:

99% ^*data from raw suppliers

Z-Arg(Mtr)-OH CHA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)N)C)C)OC.C1CCC(CC1)N
• Isomeric SMILES: CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)N)C)C)OC.C1CCC(CC1)N

Technology Process of Z-Arg(Mtr)-OH.CHA

There total 3 articles about Z-Arg(Mtr)-OH.CHA 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:

Z-Arg-OH (1234-35-1) + cyclohexylamine (108-91-8,157973-60-9) + 4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride (80745-07-9) → Z-Arg(Mtr)-OH*CHA (80745-09-1,210557-94-1)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) acetone, 3 h, 2.) ethyl acetate;

Reference yield:

2,3,5-trimethylanisole (20469-61-8) → Z-Arg(Mtr)-OH*CHA (80745-09-1,210557-94-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.5 percent / chlorosulfonic acid / CH₂Cl₂ / -10 - -5 °C

2: 1.) 4 N NaOH / 1.) acetone, 3 h, 2.) ethyl acetate

With chlorosulfonic acid; sodium hydroxide; In dichloromethane;

Reference yield:

2,3,5-trimethylphenol (697-82-5) → Z-Arg(Mtr)-OH*CHA (80745-09-1,210557-94-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 99.8 percent / 60percent NaH in oil / dimethylsulfoxide / 10 h / Ambient temperature

2: 72.5 percent / chlorosulfonic acid / CH₂Cl₂ / -10 - -5 °C

3: 1.) 4 N NaOH / 1.) acetone, 3 h, 2.) ethyl acetate

With chlorosulfonic acid; sodium hydroxide; sodium hydride; In dichloromethane; dimethyl sulfoxide;

upstream raw materials:

Z-Arg-OH

cyclohexylamine

4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride

2,3,5-trimethylanisole

Downstream raw materials:

L-Arg(Mtr)

Z-Arg(Mtr)-OH

C₅₅H₆₉N₉O₁₄S

C₅₅H₆₉N₉O₁₄S

Refernces