6-Benzylamino-7-deazapurine

Base Information

• Chemical Name: 6-Benzylamino-7-deazapurine
• CAS No.: 60972-04-5
• Molecular Formula: C13H12N4
• Molecular Weight: 224.26
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70404394
• Nikkaji Number: J677.422I
• Wikidata: Q82208574
• Mol file: 60972-04-5.mol

Synonyms:6-Benzylamino-7-deazapurine;60972-04-5;N-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;SCHEMBL4354437;DTXSID70404394;AKOS027802521;6-benzylamino-7-deazapurine, AldrichCPR;4-(benzylamino)-pyrrolo[2,3-d]pyrimidine;CS-0269947;FT-0662672;W-203278;Z991897216;n-Benzyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-imine

Chemical Property of 6-Benzylamino-7-deazapurine

Chemical Property:

• Vapor Pressure: 2.24E-08mmHg at 25°C
• Melting Point: 202-206°C
• Boiling Point: 452.5°C at 760 mmHg
• PKA: 13.32±0.20(Predicted)
• Flash Point: 227.4°C
• PSA: 53.60000
• Density: 1.331g/cm³
• LogP: 2.64300
• Storage Temp.: Refrigerator
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 224.106196400
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

6-Benzylamino-7-deazapurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2C=CN3

Technology Process of 6-Benzylamino-7-deazapurine

There total 5 articles about 6-Benzylamino-7-deazapurine 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:

C20H18N4O2S → 4-benzylamino-7H-pyrrolo[2,3-d]pyrimidine (60972-04-5)

Guidance literature:

With sodium hydroxide; In methanol; water; Inert atmosphere;

Reference yield:

4-chloro-1H-pyrrolo[2,3-d]pyrimidine (3680-69-1) → 4-benzylamino-7H-pyrrolo[2,3-d]pyrimidine (60972-04-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetone / 8 h / 20 °C

2: 6 h / 65 °C / pH 11

3: sodium hydroxide / water; methanol / Inert atmosphere

With sodium hydroxide; In methanol; water; acetone;

Reference yield:

4-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine (479633-63-1) → 4-benzylamino-7H-pyrrolo[2,3-d]pyrimidine (60972-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 6 h / 65 °C / pH 11

2: sodium hydroxide / water; methanol / Inert atmosphere

With sodium hydroxide; In methanol; water;

upstream raw materials:

4-chloro-1H-pyrrolo[2,3-d]pyrimidine

benzylamine

4-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine

Refernces

• 1、 Tedder, Martina E.,Nie, Zhe,Margosiak, Stephen,Chu, Shaosong,Feher, Victoria A.,Almassy, Robert,Appelt, Krzysztof,Yager, Kraig M.. "Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors". . p. 3165 - 3168. Retrieved 2007/10/03.