Hexanoic acid, 6-(9H-purin-6-ylamino)-

Base Information

• Chemical Name: Hexanoic acid, 6-(9H-purin-6-ylamino)-
• CAS No.: 31918-50-0
• Molecular Formula: C11H15 N5 O2
• Molecular Weight: 249.2691
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00185760
• Nikkaji Number: J1.450.214I
• Wikidata: Q83056851
• ChEMBL ID: CHEMBL3805846
• Mol file: 31918-50-0.mol

Synonyms:31918-50-0;6-(9H-Purin-6-ylamino)hexanoic acid;BRN 0543494;epsilon-(6-Purinylamino)caproic acid;HEXANOIC ACID, 6-(9H-PURIN-6-YLAMINO)-;6-((9H-purin-6-yl)amino)hexanoic acid;6-[(9h-purin-6-yl)amino]hexanoic acid;C11H15N5O2;n6-(5-carboxypentyl)adenine;CHEMBL3805846;DTXSID00185760;AKOS000189933;AKOS030488356;6-(9H-Purine-6-ylamino)hexanoic acid;LS-75372

Chemical Property of Hexanoic acid, 6-(9H-purin-6-ylamino)-

Chemical Property:

• Vapor Pressure: 9.91E-17mmHg at 25°C
• Boiling Point: 629.8°C at 760 mmHg
• Flash Point: 334.7°C
• PSA: 103.79000
• Density: 1.399g/cm³
• LogP: 1.48280
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 249.12257474
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

6-(7H-PURIN-6-YLAMINO)HEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)NCCCCCC(=O)O

Technology Process of Hexanoic acid, 6-(9H-purin-6-ylamino)-

There total 2 articles about Hexanoic acid, 6-(9H-purin-6-ylamino)- 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: 93.0%

6-chloropurine (87-42-3) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-[(9H-purin-6-yl)amino]hexanoic acid (31918-50-0)

Guidance literature:

With sodium carbonate; In water; for 3h; Heating;

DOI:10.1021/ja072027p

Reference yield:

→ 6-[(9H-purin-6-yl)amino]hexanoic acid (31918-50-0)

Guidance literature:

6-chlor-purin, ε-aminocapronsaeure, sd.aq.KOH (pH10,3h),;

Reference yield: 65.0%

4-Vinylbenzyl chloride (1592-20-7,29296-32-0) + 6-[(9H-purin-6-yl)amino]hexanoic acid (31918-50-0) → 9-(4-vinylbenzyl)purin-6-yl-aminocaproic acid

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 30 ℃; for 12h;

DOI:10.1016/j.bmcl.2006.07.077

upstream raw materials:

6-chloropurine

6-aminohexanoic acid

Downstream raw materials:

C₅₇H₈₅N₁₅O₇

C₅₃H₇₇N₁₅O₇

C₅₃H₇₇N₁₅O₇

C₄₇H₇₆N₁₄O₇

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