CAS 886362-46-5

2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]-5-methylbenzoic acid

Description:

2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]-5-methylbenzoic acid, with the CAS number 886362-46-5, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a methyl group and an amino group that is further modified by a dimethylethoxycarbonyl group. This compound is typically a white to off-white solid and is soluble in organic solvents, reflecting its hydrophobic characteristics due to the presence of the aromatic ring and the bulky dimethylethoxy group. It may exhibit properties such as moderate acidity due to the carboxylic acid functional group, which can participate in hydrogen bonding and influence its reactivity and solubility. The presence of the amino group suggests potential for further chemical modifications, making it of interest in pharmaceutical and synthetic organic chemistry. Its specific applications may vary, but it could be relevant in drug development or as an intermediate in the synthesis of more complex molecules.

Formula: C₁₄H₁₉NO₄

InChI: InChI=1/C14H19NO4/c1-9-6-7-11(10(8-9)12(16)17)15(5)13(18)19-14(2,3)4/h6-8H,1-5H3,(H,16,17)

InChI key: InChIKey=HIJWUGNLQCTKDA-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)(C)C1=C(C(O)=O)C=C(C)C=C1

Synonyms:

• 2-[(tert-Butoxycarbonyl)(methyl)amino]-5-methylbenzoic acid
• 2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]-5-methylbenzoic acid
• Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-5-methyl-

2-(tert-Butoxycarbonylmethylamino)-5-methylbenzoic acid

CAS: 886362-46-5

Formula: C₁₄H₁₉NO₄

Molecular weight: 265.3050

Ref: IN-DA00GSL1