6-Bromopurine

Base Information

• Chemical Name: 6-Bromopurine
• CAS No.: 767-69-1
• Molecular Formula: C5H3BrN4
• Molecular Weight: 199.01
• Hs Code.: 29339900
• European Community (EC) Number: 212-187-8
• NSC Number: 45150
• DSSTox Substance ID: DTXSID20227499
• Nikkaji Number: J193.144J
• Wikidata: Q27458499
• Metabolomics Workbench ID: 146773
• Mol file: 767-69-1.mol

Synonyms:6-Bromopurine;6-BROMO-7H-PURINE;767-69-1;6-bromo-9H-purine;Purine, 6-bromo-;1H-Purine, 6-bromo-;6-Bromo-1H-purine;BB-127E;6-Bromo purine;EINECS 212-187-8;C5H3BrN4;NSC 45150;MFCD00022648;9H-Purine, 6-bromo-;rabectedin;6-Bromopurine, 98%;SCHEMBL13014;BP1;C5-H3-Br-N4;DTXSID20227499;BCP27817;STR08792;NSC-45150;AKOS003398781;AKOS009156641;AB21718;CCG-321434;CS-W010522;DB02168;AC-23871;PD060119;SY012323;LS-126482;(S)-2-Amino-3-(diethanolamino)propanoicacid;A9730;AM20080938;FT-0632919;EN300-252017;P17218;W-203756;Q27458499;Z2685927705

Chemical Property of 6-Bromopurine

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.767
• Boiling Point: 472.8 °C at 760 mmHg
• PKA: 7.39±0.20(Predicted)
• Flash Point: 239.7 °C
• PSA: 54.46000
• Density: 2.036 g/cm³
• LogP: 1.11540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.95411
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

6-Bromopurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)Br
• Uses: 6-Bromopurine was used in the synthesis of 6-halopurine alkynes and corresponding triazole derivatives. 6-Bromopurine was used in the synthesis and chemical characterization of 2,3,4,5-tetrahydro-1,5-benzoxazepines-3-ol.

Technology Process of 6-Bromopurine

There total 3 articles about 6-Bromopurine 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: 68.4%

6-hydroxypurine (68-94-0) → 6-bromopurine (767-69-1)

Guidance literature:

With phosphorus(V) oxybromide; In acetonitrile; at 80 ℃; for 4h; Time;

Reference yield:

→ 6-bromopurine (767-69-1)

Guidance literature:

6-Purin-thiol, Br2, wss. methanol. HBr 1. 15-20grad, 2 h 2. 10grad, 1.5 h;

Reference yield:

1,7-dihydro-6H-purin-6-one (68-94-0) → 6-bromopurine (767-69-1)

Guidance literature:

With phosphorus(V) oxybromide; at 130 ℃;

DOI:10.1021/ja01595a065

upstream raw materials:

1,7-dihydro-6H-purin-6-one

6-hydroxypurine

Downstream raw materials:

C₃₂H₂₅BrN₄O₇

N-{1-[5-Chloro-2-methoxy-4-methyl-3-(1,3-thiazol-4-yl)phenyl]ethyl}-9H-purin-6-amine trifluoroacetate

(4-{3-Chloro-6-methoxy-2-methyl-5-[1-(9H-purin-6-ylamino)ethyl]phenyl}-1H-pyrazol-1-yl)acetonitrile trifluoroacetate

N-{1-[4-Chloro-3'-fluoro-5-methyl-6-(1H-pyrazol-4-yl)biphenyl-2-yl]ethyl}-9H-purin-6-amine trifluoroacetate

Refernces

• 1、 -. "Synthetic method for 6-bromopurine". Paragraph 0005; 0009-0012. . Retrieved 2018/04/02.