Boc-His(Boc)-OH.DCHA

Base Information

• Chemical Name: Boc-His(Boc)-OH.DCHA
• CAS No.: 31687-58-8
• Molecular Formula: C16H25N3O6^.C12H23N
• Molecular Weight: 536.712
• Hs Code.: 2933 29 90
• European Community (EC) Number: 250-764-6
• DSSTox Substance ID: DTXSID20185580
• Mol file: 31687-58-8.mol

Synonyms:31687-58-8;Boc-His(Boc)-OH.DCHA;BOC-HIS(BOC)-OH DCHA;N,1-Bis(tert-butoxycarbonyl)-L-histidine, compound with dicyclohexylamine (1:1);N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid;Boc-His(Boc)-OHDCHA;Boc-His(Boc)-OH toluene solvate;EINECS 250-764-6;Boc-His(Boc)-OH (dicyclohexylammonium) salt;Boc-His(Boc)-OH DCHA salt;DTXSID20185580;WBGMQHNUPJENDC-MERQFXBCSA-N;MFCD06804675;AKOS015908222;FD21673;HY-W129194;DS-15118;Boc-His(Boc)-OH dicyclohexylammonium salt;CS-0187331;NS00050751;M03293;Na,Nt-Bis(tert-butoxycarbonyl)-L-histidine dicyclohexylammonium salt;Histidine, N,1-dicarboxy-, di-tert-butyl ester, compd with dicyclohexylamine (1:1), L-;N-alpha-t-Butyloxycarbonyl-N-im-t-butyloxycarbonyl-L-histidine dicyclohexylamine;DICYCLOHEXYLAMINE (S)-3-(1-(TERT-BUTOXYCARBONYL)-1H-IMIDAZOL-4-YL)-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOATE;dicyclohexylamine (S)-3-(1-(tert-butoxycarbonyl)-1H-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoate;L-Histidine, N,1-bis((1,1-dimethylethoxy)carbonyl)-, compd with N-cyclohexylcyclohexanamine (1:1)

Chemical Property of Boc-His(Boc)-OH.DCHA

Chemical Property:

• Appearance/Colour: White Powder
• Vapor Pressure: 2.1E-19mmHg at 25°C
• Melting Point: 160-165 °C (dec.)
• Boiling Point: 679.7 °C at 760 mmHg
• Flash Point: 364.9 °C
• PSA: 131.78000
• LogP: 6.20990
• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 536.35738526
• Heavy Atom Count: 38
• Complexity: 625

Purity/Quality:

99% ^*data from raw suppliers

Boc-His(Boc)-OH . DCHA Novabiochem? ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2

Technology Process of Boc-His(Boc)-OH.DCHA

There total 1 articles about Boc-His(Boc)-OH.DCHA 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: 75.0%

di-tert-butyl dicarbonate (24424-99-5) + N-cyclohexyl-cyclohexanamine (101-83-7) + L-histidine (71-00-1) → Boc-His(Boc)-OH dicyclohexylamine salt (31687-58-8)

Guidance literature:

With triethylamine; 1) water, dioxane, 30 to 45 deg C; 2) diethyl ether;

Reference yield: 94.0%

N-[2-N-acetylamino-4-(3-aminophenyl)thiazole]propargylglycinamide + Boc-His(Boc)-OH dicyclohexylamine salt (31687-58-8) → N-[2-N-acetylamino-4-(3-aminophenyl)thiazole]-[Nα,Nimidazole(di-tert-butoxycarbonyl)]histidylglycinamide

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1039/c8ob01858h

Reference yield: 83.0%

[N-(2-N-toluoylamino-4-(3-aminophenyl)thiazole)]propargylglycinamide + Boc-His(Boc)-OH dicyclohexylamine salt (31687-58-8) → N-[2-N-toluoylamino-4-(3-aminophenyl)thiazole]-[Nα,Nimidazole-(di-tertbutoxycarbonyl)]histidylglycinamide

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1039/c8ob01858h

upstream raw materials:

di-tert-butyl dicarbonate

N-cyclohexyl-cyclohexanamine

L-histidine

Downstream raw materials:

N^α-t-butoxycarbonyl-N^im-t-butoxycarbonylhistidyl-leucyl-leucylvalyl-O-benzyltyrosyl-O-benzylserine benzyl ester

Refernces