4-(4-Methyl-1,4-diazepan-1-YL)benzoic acid

Base Information

Chemical Name:4-(4-Methyl-1,4-diazepan-1-YL)benzoic acid
CAS No.:730933-25-2
Molecular Formula:C13H18N2O2
Molecular Weight:234.298
Hs Code.:
DSSTox Substance ID:DTXSID00592394
Nikkaji Number:J2.437.922A

Synonyms:730933-25-2;4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZOIC ACID;4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZOICACID;SCHEMBL4229148;DTXSID00592394;MFCD11168679;DB-106026

Suppliers and Price of 4-(4-Methyl-1,4-diazepan-1-YL)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-(4-Methyl-1,4-diazepan-1-YL)benzoic acid

Chemical Property:

XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:234.136827821
Heavy Atom Count:17
Complexity:262

Purity/Quality:: 97%,98%,99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(4-Methyl-1,4-diazepan-1-YL)benzoic acid

There total 4 articles about 4-(4-Methyl-1,4-diazepan-1-YL)benzoic 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: 98.0%

: 166438-80-8
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

: 730933-25-2
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid

Guidance literature:: With sodium hydroxide; for 40h; Heating;
DOI:10.1016/j.bmc.2004.11.005

Reference yield:

: 4318-37-0
1-Methylhomopiperazine

: 730933-25-2
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 120 °C

2: sodium hydroxide; water / methanol / 80 °C

With water; potassium carbonate; sodium hydroxide; In methanol; dimethyl sulfoxide;
DOI:10.1080/14756366.2019.1673745