Boc-his-nhnh2

Base Information

• Chemical Name: Boc-his-nhnh2
• CAS No.: 42002-05-1
• Molecular Formula: C11H19 N5 O3
• Molecular Weight: 269.304
• Hs Code.: 2933990090
• European Community (EC) Number: 255-619-0
• Mol file: 42002-05-1.mol

Synonyms:BOC-HIS-NHNH2;42002-05-1;tert-butyl N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate;(S)-tert-Butyl (1-hydrazinyl-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamate;C11H19N5O3;MFCD00055954;FD21739;AS-49190;CS-0332349;Tert-butyl (S)-(1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamate;tert-butyl N-[(1S)-1-(hydrazinecarbonyl)-2-(1H-imidazol-5-yl)ethyl]carbamate

Chemical Property of Boc-his-nhnh2

Chemical Property:

• Vapor Pressure: 6.19E-15mmHg at 25°C
• Boiling Point: 612.4°Cat760mmHg
• Flash Point: 324.2°C
• PSA: 122.13000
• Density: 1.251g/cm³
• LogP: 1.31750
• Storage Temp.: −20°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 269.14878949
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

N-alpha-Boc-L-histidine hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NN
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)NN

Technology Process of Boc-his-nhnh2

There total 2 articles about Boc-his-nhnh2 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:

N-(tert-butoxycarbonyl)-L-histidine methyl ester (2488-14-4) → Boc-His-NH-NH2 (42002-05-1)

Guidance literature:

With hydrazine hydrate; In methanol;

DOI:10.1002/ejic.201900528

Reference yield:

→ Boc-His-NH-NH2 (42002-05-1)

Guidance literature:

His-OMe*2HCl, t-BuOH;

DOI:10.1007/BF00567708

Reference yield:

Boc-His-NH-NH2 (42002-05-1) → H-His-Phe-OBzl*2HCl (133389-06-7,136158-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 2N HCl, isopentyl nitrite, 2.) Et₃N, / 1.) DMF, -10 deg C, 10 min, 2.) THF, DMF, 30 min

2: 89 percent / 4N HCl / tetrahydrofuran / 1 h / Ambient temperature

With hydrogenchloride; triethylamine; isopentyl nitrite; In tetrahydrofuran;

upstream raw materials:

N-(tert-butoxycarbonyl)-L-histidine methyl ester

Downstream raw materials:

Boc-His-Phe-OBzl

H-His-Phe-OBzl*2HCl

N-tert-butoxycarbonyl-L-histydyl-D-phenylalanyl-L-cysteinyl(Acm)-D-tryptophyl-L-leucine methyl ester