181518-01-4

Basic information

• Product Name: Benzeneacetic acid, 3-Methoxy-4-nitro-, 1,1-diMethylethyl ester
• Synonyms: Benzeneacetic acid, 3-Methoxy-4-nitro-, 1,1-diMethylethyl ester
• CAS NO: 181518-01-4
• Molecular Formula: C₁₃H₁₇NO₅
• Molecular Weight: 267.27778
• Mol File: 181518-01-4.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzeneacetic acid, 3-Methoxy-4-nitro-, 1,1-diMethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 3-Methoxy-4-nitro-, 1,1-diMethylethyl ester(181518-01-4)
• EPA Substance Registry System: Benzeneacetic acid, 3-Methoxy-4-nitro-, 1,1-diMethylethyl ester(181518-01-4)

Safety Data

• Hazardous Substances Data: 181518-01-4(Hazardous Substances Data)

Upstream product

• 90323-26-5 2-diazo-1-(3-methoxy-4-nitro-phenyl)-ethanone 
• 75-65-0 tert-butyl alcohol 
• 5081-36-7 3-methoxy-4-nitrobenzoic acid 
• 67579-92-4 3-methoxy-4-nitrobenzoic acid chloride 

Downstream Products

• 181519-16-4 tert-butyl 4-amino-3-methoxyphenylacetate 
• 317356-49-3 C₃₀H₂₉F₄N₃O₆ 
• 317364-28-6 C₃₀H₃₂FN₃O₇ 
• 317356-30-2 C₂₉H₂₉BrFN₃O₆ 
• 317356-31-3 C₂₉H₂₉ClFN₃O₆ 
• 317356-47-1 tert-butyl 3-methoxy-4-[N'-(2-trifluoromethylphenyl)ureido]phenylacetate 
• 317356-68-6 tert-butyl 4-[N'-(2-methoxyphenyl)ureido]-3-methoxylphenylacetate 
• 924309-91-1 tert-butyl (4-[N'-(2-chlorophenyl)ureido]-3-methoxyphenyl)acetate 
• 924309-80-8 (4-[N'-(2-isopropylphenyl)ureido]-3-methoxyphenyl)acetic acid 
• 317356-48-2 (3-methoxy-4-[N'-(2-trifluoromethylphenyl)ureido]phenyl)acetic acid 
• 317364-27-5 (3-methoxy-4-[N'-(2-methoxyphenyl)ureido]phenyl)acetic acid 
• 315706-85-5 (4-[N'-(2-bromophenyl)ureido]-3-methoxyphenyl)acetic acid 
• 315706-64-0 (4-[N'-(2-chlorophenyl)ureido]-3-methoxyphenyl)acetic acid 

Relevant articles and documents

SPIROINDOLINONE PYRROLIDINES

There are provided compounds of the formula wherein X, Y and R1 to R8 are described herein along with the enantiomers, pharmaceutically acceptable salts and esters thereof. The compounds are useful as anticancer agents.

Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists

A series of benzoic acid derivatives was synthesized as VLA-4 antagonists. Introduction of chlorine or bromine into the 3-position on the central benzene of the diphenylurea portion as in lead compound 2 led to improvement in the pharmacokinetic properties. In particular, 12l demonstrated an acceptable plasma clearance and bioavailability in mice and rats as well as dogs (mice, CL = 18.5 ml/min/kg, F = 28 %; rats, CL = 5.2 ml/min/kg, F = 36 %; dogs, CL = 3.6 ml/min/kg, F = 55 %). Additionally, 12l exhibited potent activity with an IC50 value of 0.51 nM and efficacy by oral administration at a dosage of 10 mg/kg in a rat pleurisy model.

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