5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate

Base Information

• Chemical Name: 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate
• CAS No.: 72254-58-1
• Molecular Formula: C12H11N3•C2H4O2
• Molecular Weight: 257.292
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID5021417
• Mol file: 72254-58-1.mol

Synonyms:Trp-P-2 acetate;72254-58-1;5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate;Trp-P-2 (acetate);CCRIS 1408;3-Amino-1-methyl-5H-pyrido[4,3-b]indole acetate;1-methyl-5H-pyrido[4,3-b]indol-3-amine acetate;3-Amino-1-methyl-5H-pyrido(4,3-b)indole acetate;Acetic acid;1-methyl-5H-pyrido[4,3-b]indol-3-amine;75074-77-0;5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-, monoacetate;3-Amino-1-methyl-5H-pyrido(4,3-b)indole monoacetate;5H-Pyrido(4,3-b)indol-3-amine, 1-methyl-, acetate;C12H11N3.C2H4O2;C12-H11-N3.C2-H4-O2;3-AMINO-1-METHYL-5H-PYRIDO[4,3-B]INDOLE MONOACETATE;3-AMINO-1-METHYL-5-H-PYRIDO(4,3-B)INDOLEACETATE;DTXSID5021417;SCHEMBL10475768;AKOS030254575;LS-7745;CS-0455226;FT-0661943

Chemical Property of 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate

Chemical Property:

• Vapor Pressure: 1.72E-08mmHg at 25°C
• Melting Point: >300
• Boiling Point: 455.7°C at 760 mmHg
• Flash Point: 260.1°C
• PSA: 54.70000
• Density: 1.334g/cm³
• LogP: 3.18790
• Storage Temp.: Refrigerator
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 257.116426730
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-1-methyl-5H-pyrido[4,3-b]indoleAcetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O

Technology Process of 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate

There total 16 articles about 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl-, acetate 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: 81.0%

t-Boc-Trp-P-2 (143618-98-8) → Tryptophan p 2 acetate (72254-58-1,75074-77-0)

Guidance literature:

With acetic acid; In water; at 80 ℃; for 1h;

DOI:10.1021/jo00048a026

Reference yield: 24.0%

2-indoleacetonitrile (7210-27-7) + acetic acid (64-19-7,77671-22-8) + acetonitrile (75-05-8,26809-02-9) → Tryptophan p 2 acetate (72254-58-1,75074-77-0)

Guidance literature:

aluminium trichloride; at 100 - 120 ℃; for 12h;

DOI:10.1248/cpb.29.1280

Reference yield:

2-(cyanomethyl)-N-ethoxycarbonylindole (52618-53-8) → Tryptophan p 2 acetate (72254-58-1,75074-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / methanol / 0 °C

2: 24 percent / aluminum chloride / 12 h / 100 - 120 °C

With potassium carbonate; aluminium trichloride; In methanol;

DOI:10.1248/cpb.29.1280

upstream raw materials:

2-indoleacetonitrile

acetic acid

acetonitrile

t-Boc-Trp-P-2

Downstream raw materials:

1-methyl-3-nitro-5H-pyrido<4,3-b>indole

3-acetylamino-1-methyl-5H-pyrido<4,3-b>indole

3-hydroxyamino-1-methyl-5H-pyrido<4,3-b>indole

N-hydroxy-N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)acetamide