5-Bromotryptamine

Base Information

• Chemical Name: 5-Bromotryptamine
• CAS No.: 3610-42-2
• Molecular Formula: C10H11 Br N2
• Molecular Weight: 239.115
• Hs Code.: 2921199090
• European Community (EC) Number: 222-779-8
• DSSTox Substance ID: DTXSID40957504
• Nikkaji Number: J205.538D
• Wikidata: Q82937884
• Pharos Ligand ID: MNTV6T93HH45
• ChEMBL ID: CHEMBL1288717
• Mol file: 3610-42-2.mol

Synonyms:5-bromotryptamine

Chemical Property of 5-Bromotryptamine

Chemical Property:

• Vapor Pressure: 1.74E-06mmHg at 25°C
• Boiling Point: 396.2°Cat760mmHg
• PKA: 16.24±0.30(Predicted)
• Flash Point: 193.4°C
• PSA: 41.81000
• Density: 1.547g/cm³
• LogP: 3.13190
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.01056
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

2-(5-Bromo-1H-indol-3-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=CN2)CCN
• Uses: N-Boc-O-benzyl-D-tyrosine is used as a intermediate for pharmaceutical and chemical research.

Technology Process of 5-Bromotryptamine

There total 24 articles about 5-Bromotryptamine 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: 90.0%

(E)-5-bromo-3-(2-nitroethenyl)-1H-indole (131653-79-7) → 5-bromotryptamine (3610-42-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja9024885

Reference yield: 88.0%

5-bromo-Nb-methoxycarbonyltryptamine (258267-53-7) → 5-bromotryptamine (3610-42-2)

Guidance literature:

With sodium hydroxide; In methanol; water; Heating;

DOI:10.3987/com-99-8721

Reference yield: 88.0%

2-(5'-Bromo-3'-indolyl)-1-nitroethane (123475-33-2) → 5-bromotryptamine (3610-42-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Reflux; Inert atmosphere;

DOI:10.3390/md11051427

upstream raw materials:

4-aminobutyrylaldehyde diethylacetal

(4-bromophenyl)hydrazine

2-(5'-bromo-3'-indolyl)-1-nitroethene

5-Bromotryptamine-2-carboxylic acid

Downstream raw materials:

N,N-dibenzyl-5-bromotryptamine

5-bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole

dibenzyl-[2-(5-cyclopent-1-enyl-1H-indol-3-yl)-ethyl]-amine

tert-butyl N-[2-(5-bromo-1H-indol-3-yl)ethyl]carbamate