N-acetylputrescine

Base Information

• Chemical Name: N-acetylputrescine
• CAS No.: 5699-41-2
• Molecular Formula: C6H14N2O
• Molecular Weight: 130.19
• European Community (EC) Number: 691-457-0
• UNII: 8FTM5ZL5A6
• DSSTox Substance ID: DTXSID80205596
• Nikkaji Number: J367.698F
• Wikidata: Q27102595
• Metabolomics Workbench ID: 38003
• ChEMBL ID: CHEMBL81241
• Mol file: 5699-41-2.mol

Synonyms:acetylputrescine;N-acetylputrescine;N-acetylputrescine monohydrochloride

Chemical Property of N-acetylputrescine

Chemical Property:

• Refractive Index: 1.4800-1.4840
• Boiling Point: 301°Cat760mmHg
• PKA: 16.43±0.46(Predicted)
• Flash Point: 135.8°C
• PSA: 58.61000
• Density: 0.948g/cm³
• LogP: 1.40200
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.110613074
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Aminobutyl)Acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCN

Technology Process of N-acetylputrescine

There total 10 articles about N-acetylputrescine 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: 65.0%

ethyl acetate (141-78-6) + 1,4-diaminobutane (110-60-1) → N-(4-aminobutyl)acetamide (5699-41-2) + N,N'-Diacetyl-1,4-butandiamin (3073-57-2)

Guidance literature:

at 100 ℃; for 24h;

DOI:10.1016/j.bmc.2005.03.020

Reference yield: 56.0%

ethyl acetate (141-78-6) + 1,4-diaminobutane (110-60-1) → N-(4-aminobutyl)acetamide (5699-41-2)

Guidance literature:

With water; for 24h; Reflux;

DOI:10.1016/j.tetlet.2008.07.174

Reference yield: 56.0%

1,4-diaminobutane (110-60-1) + Phenyl acetate (122-79-2,34474-31-2) → N-(4-aminobutyl)acetamide (5699-41-2)

Guidance literature:

In water; at 50 ℃; for 24h;

DOI:10.1016/j.tetlet.2009.07.142

upstream raw materials:

N-(4-acetylamino-butyl)-phthalimide

acetic anhydride

1,4-diaminobutane

ethyl acetate

Downstream raw materials:

N,N'-Diacetyl-1,4-butandiamin

N¹,N³-spermidinebis(acetamide)

N₈-Acetyl-Spermidine

N⁸-acetyl-n1-phenylmethoxycarbonylspermidine

Refernces

• 1、 Beddoe,Nicholls,Smith. "Potential irreversible inhibitors of acetylcholinesterase: N-trimethyl-N-iodoacetyl diaminoalkane iodides.". . p. 865 - 867. Retrieved 1971.
• 2、 Suwal, Sujit,Senevirathne, Chamara,Garre, Satish,Pflum, Mary Kay H.. "Structural analysis of ATP analogues compatible with kinase-catalyzed labeling". . p. 2386 - 2391. Retrieved 2013/02/23.
• 3、 Tang, Wei,Fang, Shiyue. "Mono-acylation of symmetric diamines in the presence of water". supporting information; scheme or table. p. 6003 - 6006. Retrieved 2009/04/11.