CID 7009661

Base Information

• Chemical Name: CID 7009661
• CAS No.: 19653-76-0
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.404
• Mol file: 19653-76-0.mol

Synonyms:

Chemical Property of CID 7009661

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.693
• Boiling Point: 747.9 °C at 760 mmHg
• Flash Point: 406.1 °C
• PSA: 128.44000
• Density: 1.387 g/cm³
• LogP: 2.64660
• Storage Temp.: -15°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 367.15320616
• Heavy Atom Count: 27
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

TRP-TYR-OH 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-])[NH3+]
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-])[NH3+]

Technology Process of CID 7009661

There total 1 articles about CID 7009661 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:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) + L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → (S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid (19653-76-0)

Guidance literature:

With recombinant His-tagged Streptococcus mutans ATCC25175 L-amino acid α-ligase; water; tris hydrochloride; magnesium sulfate; ATP; at 37 ℃; for 16h; pH=8; aq. buffer; Enzymatic reaction;

DOI:10.1271/bbb.90644

Reference yield: 73.0%

[(η6-cymene)Ru(acetone)3](CF3SO3)2 + Tryptophanyltyrosin (19653-76-0,83435-42-1,83461-41-0) + trifluoroacetic acid (76-05-1) → [(η6-cymene)Ru(eta.6-C8H6NCH2CH(NH2)C(O)NHCH(COOH)CH2C6H4OH)](CF3SO3)2*CF3COOH

Guidance literature:

In trifluoroacetic acid; (Ar); standard Schlenk technique; dipeptide (1 equiv.) and Ru complex (1equiv.) were stirred in CF3CO2H at room temp. for 36 h; concd.; Et2O slowly added; solvent removed; residue washed; dried; treated with methanol; repptd. with Et2O; dried (vac.); elem. anal.;

DOI:10.1016/S0020-1693(03)00345-1

Reference yield: 20.0%

Langlois reagent (2926-29-6) + (S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid (19653-76-0) → (S)-1-(((S)-1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-1-oxo-3-(2-(trifluoromethyl)-1H-indol-3-yl)propan-2-aminium

Guidance literature:

With tert.-butylhydroperoxide; Iron(III) nitrate nonahydrate; ammonium formate; In water; acetic acid; at 40 ℃; for 0.333333h;

DOI:10.1021/jacs.9b11709

upstream raw materials:

L-tyrosine

L-Tryptophan

Refernces