2-(Tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid

Base Information

• Chemical Name: 2-(Tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
• CAS No.: 74853-62-6
• Molecular Formula: C44H37N3O2
• Molecular Weight: 639.797
• NSC Number: 125175
• DSSTox Substance ID: DTXSID60298663
• Mol file: 74853-62-6.mol

Synonyms:74853-62-6;2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid;n,1-ditritylhistidine;NSC125175;DTXSID60298663;AKOS024350629;NSC-125175

Chemical Property of 2-(Tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 3.43E-25mmHg at 25°C
• Boiling Point: 773.7°C at 760 mmHg
• PKA: 1.62±0.10(Predicted)
• Flash Point: 421.7°C
• PSA: 67.15000
• Density: 1.13g/cm³
• LogP: 8.69160
• Storage Temp.: Store at 0°C
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 639.28857743
• Heavy Atom Count: 49
• Complexity: 905

Purity/Quality:

99% ^*data from raw suppliers

N-alpha,Nim-Ditrityl-L-histidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O

Technology Process of 2-(Tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid

There total 9 articles about 2-(Tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid 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:

trityl chloride (76-83-5) + L-histidine (71-00-1) → Nα-Trityl-L-histidin (58995-29-2) + Nα,Nim-ditritylhistidine (74853-62-6)

Guidance literature:

With sodium hydroxide; diethylamine; isopropyl alcohol;

DOI:10.1021/ja01520a065

Reference yield:

L-histidine (71-00-1) → Nα,Nim-ditritylhistidine (74853-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) triethylamine / 1.) dimethylformamide, chloroform, 30-35 deg C, 20 min; 2.) 1 h

2: methanol

With triethylamine; In methanol;

DOI:10.1007/BF00580461

Reference yield:

bromo-triphenyl-methane (596-43-0) → Nα,Nim-ditritylhistidine (74853-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) triethylamine / 1.) dimethylformamide, chloroform, 30-35 deg C, 20 min; 2.) 1 h

2: methanol

With triethylamine; In methanol;

DOI:10.1007/BF00580461

upstream raw materials:

trityl chloride

L-histidine

triethylamine

L-Histidine methyl ester

Downstream raw materials:

N(Im),N(α)-ditritil-L-histidyl-L-serine methyl ester

N(Im),N'(α)-ditrityl-L-histidyl-D-serine methyl ester

N^im-trityl-L-histidine hydrochloride

N-(1,N^α-ditrityl-L-histidyl)-L-phenylalanine