Ethyl 7-aminoheptanoate

Base Information

• Chemical Name: Ethyl 7-aminoheptanoate
• CAS No.: 1117-66-4
• Molecular Formula: C9H19NO2
• Molecular Weight: 173.255
• Hs Code.: 2922499990
• European Community (EC) Number: 601-119-6
• DSSTox Substance ID: DTXSID701288165
• Nikkaji Number: J1.355.535D
• Mol file: 1117-66-4.mol

Synonyms:Ethyl 7-aminoheptanoate;1117-66-4;7-Amino-heptanoic acid ethyl ester;Heptanoic acid, 7-amino-, ethyl ester;7-AMINO-HEPTANOIC ACID HCL ,98.0+per cent;7-amino-heptanoic acid HCL;7-AMINOHEPTANOIC ACID ETHYL ESTER;ethyl-7-aminoheptanoate;SCHEMBL1471510;DTXSID701288165;BAA11766;AKOS009265702;AM82451;NCGC00333399-01;CS-0299111;FT-0658749;EN300-58179;AB00172774-02;AB00172774-04;A802409

Chemical Property of Ethyl 7-aminoheptanoate

Chemical Property:

• Vapor Pressure: 0.062mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 231.511 °C at 760 mmHg
• PKA: 10.61±0.10(Predicted)
• Flash Point: 98.272 °C
• PSA: 52.32000
• Density: 0.94 g/cm³
• LogP: 2.15900
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 173.141578849
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

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

Ethyl7-aminoheptanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCN

Technology Process of Ethyl 7-aminoheptanoate

There total 14 articles about Ethyl 7-aminoheptanoate 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: 90.0%

ethyl 7-azidoheptanoate (927831-56-9) → 7-aminoheptanoic acid ethyl ester (1117-66-4)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 7h;

DOI:10.1016/j.bmcl.2010.07.089

Reference yield: 75.0%

ethyl ζ-nitroheptanoate (76455-55-5) → 7-aminoheptanoic acid ethyl ester (1117-66-4)

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In tetrahydrofuran; for 0.666667h; Ambient temperature;

DOI:10.1055/s-1987-28055

Reference yield:

C37H40F17NO5 (1313585-64-6) → 7-aminoheptanoic acid ethyl ester (1117-66-4) + 2-((7-ethoxy-7-oxoheptyl)amino)-2-(4-isopropylphenyl)acetic acid (1313585-65-7)

Guidance literature:

With palladium on carbon; hydrogen; In ethanol; at 80 ℃; for 5h; under 1500.15 Torr;

DOI:10.1016/j.tet.2011.05.039

upstream raw materials:

ethyl 6-cyanohexanoate

hexahydro-2H-oxepin-2-one

ethanol

sodium cyanide

Downstream raw materials:

tianeptine

ethyl 7-((3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoate

C₅₂H₅₇N₇O₄

Refernces

• 1、 Jadhavar, Pradeep S.,Ramachandran, Sreekanth A.,Riquelme, Eduardo,Gupta, Ashu,Quinn, Kevin P.,Shivakumar, Devleena,Ray, Soumya,Zende, Dnyaneshwar,Nayak, Anjan K.,Miglani, Sandeep K.,Sathe, Balaji D.,Raja, Mohd.,Farias, Olivia,Alfaro, Ivan,Belmar, Sebastián,Guerrero, Javier,Bernales, Sebastián,Chakravarty, Sarvajit,Hung, David T.,Lindquist, Jeffrey N.,Rai, Roopa. "Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors". supporting information. p. 5222 - 5228. Retrieved 2016/10/30.
• 2、 Park, Jin-Hun,Chang, Jeong-Soo,El-Gamal, Mohammed I.,Choi, Won-Kyoung,Lee, Woong San,Chung, Hye Jin,Kim, Hyun-Il,Cho, Young-Jin,Lee, Bong Sang,Jeon, Hong-Ryeol,Lee, Yong Sup,Choi, Young Wook,Lee, Jaehwi,Oh, Chang-Hyun. "Novel amides and esters prodrugs of olmesartan: Synthesis, bioconversion, and pharmacokinetic evaluation". scheme or table. p. 5895 - 5899. Retrieved 2010/11/18.