2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)-
• CAS No.: 62742-50-1
• Deprecated CAS: 109526-85-4
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID80886506
• Nikkaji Number: J429.482C
• Wikidata: Q72440849
• Mol file: 62742-50-1.mol

Synonyms:62742-50-1;2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)-;[(2R)-2-methylbutyl] (E)-3-(4-aminophenyl)prop-2-enoate;2-Propenoic acid, 3-(4-aminophenyl)-, 2-methylbutyl ester, (R)-;2-Propenoic acid, 3-(4-aminophenyl)-, 2-methylbutyl ester, [R-(E)]-;DTXSID80886506;3-(4-Aminophenyl)propenoic acid (R)-2-methylbutyl ester

Chemical Property of 2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)-

Chemical Property:

• Vapor Pressure: 6.1E-06mmHg at 25°C
• Melting Point: 78°C
• Refractive Index: 1.5110 (estimate)
• Boiling Point: 378.9°C at 760 mmHg
• Flash Point: 217.4°C
• PSA: 52.32000
• Density: 1.064±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 3.45250
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

(+)-2-METHYLBUTYL-PARA-AMINOCINNAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)COC(=O)C=CC1=CC=C(C=C1)N
• Isomeric SMILES: CC[C@@H](C)COC(=O)/C=C/C1=CC=C(C=C1)N

Technology Process of 2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)-

There total 4 articles about 2-Propenoic acid, 3-(4-aminophenyl)-, (2R)-2-methylbutyl ester, (2E)- 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:

(E)-3-(4-Nitro-phenyl)-acrylic acid (S)-2-methyl-butyl ester → (S)-2-methylbutyl 4-aminocinnamate (133697-77-5,62742-50-1)

Guidance literature:

With ammonia; iron(II) chloride; In methanol; Ambient temperature;

DOI:10.1246/bcsj.64.1652

Reference yield:

(2S)-2-methyl-1-butanol (1565-80-6) → (S)-2-methylbutyl 4-aminocinnamate (133697-77-5,62742-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / tetrahydrofuran

2: FeCl₂, NH₃ / methanol / Ambient temperature

With pyridine; ammonia; iron(II) chloride; In tetrahydrofuran; methanol;

DOI:10.1246/bcsj.64.1652

Reference yield:

p-nitrocinnamoyl chloride (61921-33-3,22440-58-0) → (S)-2-methylbutyl 4-aminocinnamate (133697-77-5,62742-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / tetrahydrofuran

2: FeCl₂, NH₃ / methanol / Ambient temperature

With pyridine; ammonia; iron(II) chloride; In tetrahydrofuran; methanol;

DOI:10.1246/bcsj.64.1652

upstream raw materials:

(2S)-2-methyl-1-butanol

p-nitrocinnamoyl chloride

Downstream raw materials:

(S)-2-methylbutyl 4-<4-(11-hydroxyundecyloxy)-2-hyxdroxybenzylideneamino>cinnamate

(S)-2-methylbutyl 4-<4-(11-hydroxyundecyloxy)benzylideneamino>cinnamate

Refernces