Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol

Base Information

• Chemical Name: Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol
• CAS No.: 787554-04-5
• Molecular Formula: C₃₈H₅₃N₃O₃SSi
• Molecular Weight: 660.009
• DSSTox Substance ID: DTXSID20458221
• Nikkaji Number: J2.062.054D
• Wikidata: Q82281413
• Mol file: 787554-04-5.mol

Synonyms:787554-04-5;Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol;N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide;DTXSID20458221;T2223;D92584;1-Methyl-5-[(S)-2-(2,4,6-triisopropylphenylsulfonylamino)-3-(tert-butyldiphenylsiloxy)propyl]-1H-imidazole

Chemical Property of Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol

Chemical Property:

• Vapor Pressure: 1.55E-20mmHg at 25°C
• Melting Point: 177 °C
• Refractive Index: 5 ° (C=1, CHCl3)
• Boiling Point: 719.2oC at 760 mmHg
• PKA: 10.52±0.50(Predicted)
• Flash Point: 388.8oC
• PSA: 81.60000
• Density: 1.07g/cm3
• LogP: 8.72820
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 659.35769027
• Heavy Atom Count: 46
• Complexity: 991

Purity/Quality:

98% ^*data from raw suppliers

N-α-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(CC2=CN=CN2C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(C)C
• Isomeric SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N[C@@H](CC2=CN=CN2C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(C)C
• Uses: N-alpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol (CAS# 787554-04-5) is a histidine-derived compound used as a catalyst in enantioselective esterification.

Technology Process of Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol

There total 3 articles about Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol 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: 98.0%

tert-butylchlorodiphenylsilane (58479-61-1) + (+)-N(?)-methyl-N(α)-(2,4,6-triisopropylbenzenesulfonyl)-L-histidinol (787554-00-1) → (S)-(+)-1-tert-butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)-2-(2'',4'',6''-triisopropylbenzenesulfonylamino)propane (787554-04-5)

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1021/ja045850j DOI:10.1016/j.tet.2007.02.020

Reference yield:

2,4,6-triisopropylphenylsulfonyl chloride (6553-96-4) → (S)-(+)-1-tert-butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)-2-(2'',4'',6''-triisopropylbenzenesulfonylamino)propane (787554-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / pyridine / 5 h / 20 °C

2: 98 percent / imidazole / dimethylformamide / 6 h / 20 °C

With pyridine; 1H-imidazole; In N,N-dimethyl-formamide;

DOI:10.1016/j.tet.2007.02.020

Reference yield:

N(?)-methyl-L-histidinol → (S)-(+)-1-tert-butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)-2-(2'',4'',6''-triisopropylbenzenesulfonylamino)propane (787554-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / pyridine / 5 h / 20 °C

2: 98 percent / imidazole / dimethylformamide / 6 h / 20 °C

With pyridine; 1H-imidazole; In N,N-dimethyl-formamide;

DOI:10.1016/j.tet.2007.02.020

upstream raw materials:

tert-butylchlorodiphenylsilane

(+)-N(?)-methyl-N(α)-(2,4,6-triisopropylbenzenesulfonyl)-L-histidinol

2,4,6-triisopropylphenylsulfonyl chloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 787554-04-5 NALPHA-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-O-(TERT-BUTYLDIPHENYLSILYL)-PROS-METHYL-L-HISTIDINOL

Send

Send

Metric Ton KG G Pound L ML

Send

Send