Methyl 7-aminoheptanoate hydrochloride

Base Information

• Chemical Name: Methyl 7-aminoheptanoate hydrochloride
• CAS No.: 17994-94-4
• Molecular Formula: C8H17 N O2 . Cl H
• Molecular Weight: 195.689
• Hs Code.: 2922499990
• European Community (EC) Number: 682-559-6
• DSSTox Substance ID: DTXSID50550101
• Mol file: 17994-94-4.mol

Synonyms:17994-94-4;methyl 7-aminoheptanoate hydrochloride;7-Amino-heptanoic acid methyl ester hydrochloride;7-Aminoheptanoic acid methyl ester hydrochloride;methyl 7-aminoheptanoate HCl;methyl 7-aminoheptanoate;hydrochloride;MFCD09029389;7-Amino-heptanoic acid methyl ester, HCl;Heptanoic acid, 7-amino-, methyl ester, hydrochloride (1:1);Heptanoic acid, 7-amino-, methyl ester, hydrochloride;SCHEMBL517323;DTXSID50550101;CHMAEAFFKRYPQT-UHFFFAOYSA-N;methyl7-aminoheptanoatehydrochloride;methyl 7-aminoheptanate hydrochloride;Methyl-7-aminoheptanoate hydrochloride;AKOS000277962;Methyl 7-Aminopentanoate Hydrochloride;AM82449;CS-W004807;methyl 7-amino-heptanoate hydrochloride;DS-14415;SY027249;7-aminoheptanoic methyl ester hydrochloride;methyl 7-aminoheptanoate hydrochloride salt;methyl 7-aminoheptanoate, hydrochloride salt;EN300-38922;7-aminoheptanoic acid, methyl ester, hydrochloride;Methyl 7-aminoheptanoate--hydrogen chloride (1/1)

Chemical Property of Methyl 7-aminoheptanoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.183mmHg at 25°C
• Melting Point: 119-121℃
• Boiling Point: 251.3°Cat760mmHg
• Flash Point: 105.8°C
• PSA: 52.32000
• Density: g/cm³
• LogP: 1.76890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 195.1026065
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

7-AminoheptanoicAcidMethylEsterHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCCN.Cl
• Uses: Methyl 7-aminoheptanoate is used in the synthesis of the antidepressant drug Amineptine (A634280).

Technology Process of Methyl 7-aminoheptanoate hydrochloride

There total 8 articles about Methyl 7-aminoheptanoate hydrochloride 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: 100.0%

methanol (67-56-1) + 7-aminoheptanoic acid (929-17-9) → methyl 7-aminoheptanoate hydrochloride (17994-94-4)

Guidance literature:

With thionyl chloride; at 20 ℃; for 5h;

DOI:10.1016/j.bmcl.2008.04.007

Reference yield: 100.0%

→ methyl 7-aminoheptanoate hydrochloride (17994-94-4)

Guidance literature:

Reference yield: 98.0%

7-(2,4-dinitro-benzenesulfonylamino)-heptanoic acid methyl ester → methyl 7-aminoheptanoate hydrochloride (17994-94-4)

Guidance literature:

7-(2,4-dinitro-benzenesulfonylamino)-heptanoic acid methyl ester; With thiophenol; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

With hydrogenchloride;

DOI:10.1055/s-2001-15158

upstream raw materials:

methanol

7-aminoheptanoic acid

cycloheptanone

7-amino-heptanoic acid lactam

Downstream raw materials:

7-(4-nitrobenzoylamino)-heptanoic acid methyl ester

7-(3-benzoyl-ureido)-heptanoic acid methyl ester

C₁₆H₂₅NO₂

C₉H₁₉NO₂*ClH

Refernces

• 1、 Li, Xiaoyang,Peterson, Yuri K.,Inks, Elizabeth S.,Himes, Richard A.,Li, Jiaying,Zhang, Yingjie,Kong, Xiujie,Chou, C. James. "Class i HDAC Inhibitors Display Different Antitumor Mechanism in Leukemia and Prostatic Cancer Cells Depending on Their p53 Status". . p. 2589 - 2603. Retrieved 2018.
• 2、 Bukhari, Shazreh,Cabral, Aaron D.,De Araujo, Elvin D.,Gawel, Justyna M.,Gunning, Patrick T.,He, Liying,Johns, Alexandra E.,Manaswiyoungkul, Pimyupa,Nawar, Nabanita,Olaoye, Olasunkanmi O.,Raouf, Yasir S.,Sedighi, Abootaleb,Shouksmith, Andrew E.,Sina, Diana. "Class I/IIb-Selective HDAC Inhibitor Exhibits Oral Bioavailability and Therapeutic Efficacy in Acute Myeloid Leukemia". supporting information. p. 56 - 64. Retrieved 2020/01/31.