5-methyl-N,N-dipropylisophthalamic acid

Base Information

• Chemical Name: 5-methyl-N,N-dipropylisophthalamic acid
• CAS No.: 388072-25-1
• Molecular Formula: C15H21NO3
• Molecular Weight: 263.337
• DSSTox Substance ID: DTXSID30464474
• Wikidata: Q82289800
• Mol file: 388072-25-1.mol

Synonyms:5-methyl-N,N-dipropylisophthalamic acid;388072-25-1;SCHEMBL2953707;DTXSID30464474;UCCVUNQWERTTPW-UHFFFAOYSA-N;AKOS027091587;5-methyl-N, N-dipropylisophthalamic acid;5-methyl-N,N-dipropyl-isophthalamic acid;3-[(Dipropylamino)carbonyl]-5-methylbenzoic acid;3-methyl-5-[(dipropylamino)carbonyl]benzoic acid

Chemical Property of 5-methyl-N,N-dipropylisophthalamic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 263.15214353
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C(=O)C1=CC(=CC(=C1)C)C(=O)O

Technology Process of 5-methyl-N,N-dipropylisophthalamic acid

There total 7 articles about 5-methyl-N,N-dipropylisophthalamic 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: 92.0%

benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) + di-n-propylamine (142-84-7) → 3-methyl-5-[(dipropylamino)carbonyl]benzoic acid (388072-25-1)

Guidance literature:

With 3-{[(ethylimino)methylene]-amino}-N,N,N-trimethyl-1-propanaminium iodide; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); for 3h; Product distribution / selectivity;

Reference yield: 80.0%

3-(methoxycarbonyl)-5-methylbenzoic acid (167299-68-5) + di-n-propylamine (142-84-7) → 3-methyl-5-[(dipropylamino)carbonyl]benzoic acid (388072-25-1)

Guidance literature:

With lithium hydroxide; 1,1'-carbonyldiimidazole; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 20 - 25 ℃; for 3 - 24h; Heating / reflux;

Reference yield: 71.0%

5-methylisophthalic aicd (499-49-0) + di-n-propylamine (142-84-7) → 3-methyl-5-[(dipropylamino)carbonyl]benzoic acid (388072-25-1)

Guidance literature:

With 3-{[(ethylimino)methylene]-amino}-N,N,N-trimethyl-1-propanaminium iodide; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 24h; Product distribution / selectivity;

upstream raw materials:

3-(methoxycarbonyl)-5-methylbenzoic acid

di-n-propylamine

5-methylisophthalic aicd

benzene 1,3-dicarboxylic acid monomethyl ester

Downstream raw materials:

N₁-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N₃,N₃-dipropylisophthalamide

C₃₁H₃₇F₂N₃O₄

N₁-{(1S,2S)-1-benzyl-3-[1-ethyl-2-(4-methylpentanoyl)hydrazino]-2-hydroxypropyl}-5-methyl-N₃ ,N₃-dipropylisophthalamide

N₁-{(1S,2S)-1-(3,5-difluorobenzyl)-3-[l-ethyl-2-(4-methylpentanoyl)hydrazino]-2-hydroxypropyl}-5-methyl-N₃,N₃-dipropylisophthalamide