Tert-butyl 7-aminoheptanoate

Base Information

• Chemical Name: Tert-butyl 7-aminoheptanoate
• CAS No.: 105974-64-9
• Molecular Formula: C₁₁H₂₃NO₂
• Molecular Weight: 201.309
• DSSTox Substance ID: DTXSID70597553
• Wikidata: Q82493141
• Mol file: 105974-64-9.mol

Synonyms:tert-butyl 7-aminoheptanoate;105974-64-9;Heptanoic acid, 7-amino-, 1,1-dimethylethyl ester;MFCD12804784;C11H23NO2;7-Aminoheptanoic acid tert-butyl ester;6-Boc-1-aminohexane;SCHEMBL7342998;DTXSID70597553;7-Aminoheptanoicacidtert-butylester;AKOS008140763;AT30953;MS-21776;SY188800;DB-145540;CS-0098202;EN300-81981;A1-12654;Z600614472

Chemical Property of Tert-butyl 7-aminoheptanoate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 201.172878976
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCCCCCN

Technology Process of Tert-butyl 7-aminoheptanoate

There total 1 articles about Tert-butyl 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:

→ ter-Bu-CO2(CH2)6-NH2 (105974-64-9)

Guidance literature:

With ammonia; nickel; isopropyl alcohol; at 150 ℃; under 73550.8 Torr; Hydrogenation;

Reference yield:

ter-Bu-CO2(CH2)6-NH2 (105974-64-9) → 7-[2-(4-Carbamimidoyl-phenylamino)-acetylamino]-heptanoic acid

Guidance literature:

Multi-step reaction with 5 steps

1: DMAP, iPr₂NEt, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 15 h / Ambient temperature

2: HCl gas

3: 1.) NH₃, 2.) NaOH

4: aq. K₂CO₃ / tetrahydrofuran

5: TFA / various solvent(s)

With hydrogenchloride; dmap; sodium hydroxide; ammonia; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm970020k

Reference yield:

ter-Bu-CO2(CH2)6-NH2 (105974-64-9) → 7-{2-[4-(tert-Butoxycarbonylamino-imino-methyl)-phenylamino]-acetylamino}-heptanoic acid tert-butyl ester

Guidance literature:

Multi-step reaction with 4 steps

1: DMAP, iPr₂NEt, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 15 h / Ambient temperature

2: HCl gas

3: 1.) NH₃, 2.) NaOH

4: aq. K₂CO₃ / tetrahydrofuran

With hydrogenchloride; dmap; sodium hydroxide; ammonia; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm970020k

Downstream raw materials:

7-[2-(3-Cyano-phenylamino)-acetylamino]-heptanoic acid tert-butyl ester

7-[2-(4-Cyano-phenylamino)-acetylamino]-heptanoic acid tert-butyl ester

7-[2-(4-Cyano-phenoxy)-acetylamino]-heptanoic acid tert-butyl ester

7-{2-[3-(tert-Butoxycarbonylamino-imino-methyl)-phenylamino]-acetylamino}-heptanoic acid tert-butyl ester