6-(Dimethylamino)hexanoic acid

Base Information

• Chemical Name: 6-(Dimethylamino)hexanoic acid
• CAS No.: 1072-09-9
• Molecular Formula: C₈H₁₇NO₂
• Molecular Weight: 159.228
• European Community (EC) Number: 862-080-0
• Nikkaji Number: J2.300.338D
• Mol file: 1072-09-9.mol

Synonyms:6-(dimethylamino)hexanoic acid;1072-09-9;6-(dimethylamino)hexanoicacid;SWCSXNZBAVHUMT-UHFFFAOYSA-N;BAA07209;6-(N,N-Dimethylamino)hexanoic acid;AKOS013619182;CS-0237373;EN300-1828401;A1-05792

Chemical Property of 6-(Dimethylamino)hexanoic acid

Chemical Property:

• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

6-(Dimethylamino)hexanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCCCCC(=O)O

Technology Process of 6-(Dimethylamino)hexanoic acid

There total 8 articles about 6-(Dimethylamino)hexanoic acid 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: 99.0%

6-aminohexanoic acid (60-32-2,93208-38-9) → N,N-dimethyl-ε-aminohexanoic acid (1072-09-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; formaldehyd; formic acid; In water;

Reference yield: 74.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 6-aminohexanoic acid (60-32-2,93208-38-9) → N,N-dimethyl-ε-aminohexanoic acid (1072-09-9)

Guidance literature:

With formic acid; In water; for 16h; Reflux;

DOI:10.1002/jms.1507

Reference yield:

1-chloro-4-pentyne (14267-92-6) → N,N-dimethyl-ε-aminohexanoic acid (1072-09-9)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) NaNH₂, Et₂O, (ii) /BRN= 1900390/

2: H₂ / Raney-Ni / ethanol

3: H₂O

With hydrogen; nickel; In ethanol; water;

upstream raw materials:

formaldehyd

6-aminohexanoic acid

6-chlorohexanoic acid

dimethyl amine

Downstream raw materials:

6-(N,N-dimethylamino)-N-[2-(phosphoryloxy)-ethyl]hexanoic acid p-nitrophenyl ester

C₃₄H₃₇N₅O₃