(E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic acid

Base Information

• Chemical Name: (E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic acid
• CAS No.: 387868-07-7
• Molecular Formula: C17H24O5
• Molecular Weight: 308.375
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50587371
• Nikkaji Number: J1.873.598I,J2.487.322F
• Wikidata: Q72486030
• Mol file: 387868-07-7.mol

Synonyms:387868-07-7;(E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic acid;2-ISOPROPYL-3-[4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL]ACRYLIC ACID;(2E)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene}-3-methylbutanoic acid;(2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methylbutanoic acid;(2E)-2-{[4-Methoxy-3-(3-methoxypropoxy)phenyl]-methylidene}-3-methylbutanoic acid;2-isopropyl-3-(4-methoxy-3-(3-methoxypropoxy)phenyl)acrylic acid;2-[4-Methoxy-3-(3-methoxy-propoxy)-benzylidene]-3-methylbutyric acid;SCHEMBL811262;DTXSID50587371;VPJJDEYLAURBLW-GXDHUFHOSA-N;2-Isopropyl-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]acrylicacid;MFCD11112069;2-[4-Methoxy-3-(3-methoxy-propoxy)-benzylidene]-3-methyl-butyric acid;AKOS015851799;SS-4390;A6543;CS-0363045;(2E)-2-[4-Methoxy-3-(3-methoxypropoxy)benzylidene]-3-methylbutanoic acid;E-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylene]-3-methylbutanoic acid

Chemical Property of (E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 9.65E-09mmHg at 25°C
• Boiling Point: 446.1°C at 760 mmHg
• Flash Point: 155.7°C
• PSA: 64.99000
• Density: 1.106g/cm³
• LogP: 3.23450
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 308.16237386
• Heavy Atom Count: 22
• Complexity: 364

Purity/Quality:

97% ^*data from raw suppliers

(2E)-2-{[4-Methoxy-3-(3-methoxypropoxy)phenyl]-methylidene}-3-methylbutanoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=CC1=CC(=C(C=C1)OC)OCCCOC)C(=O)O
• Isomeric SMILES: CC(C)/C(=C\C1=CC(=C(C=C1)OC)OCCCOC)/C(=O)O

Technology Process of (E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic acid

There total 1 articles about (E)-2-(4-Methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoic 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:

C18H26O5 (910546-50-8) → (E)-2-(3-(3-methoxypropoxy)-4-methoxybenzylidene)-3-methylbutanoic acid + (E)-2-(4-methoxy-3-(3-methoxypropoxy)-benzylidene)-3-methylbutanoic acid (387868-07-7)

Guidance literature:

With sodium hydroxide; In water; toluene; at 80 - 115 ℃; for 6h; Industry scale;

Reference yield: 97.0%

(E)-2-(4-methoxy-3-(3-methoxypropoxy)-benzylidene)-3-methylbutanoic acid (387868-07-7) → (R)-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-(1-methylethyl)propanoic acid (172900-71-9)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; C₂₃H₂₀NO₂P; hydrogen; triphenylphosphine; In water; isopropyl alcohol; at 55 ℃; for 18h; under 60006 Torr; Reagent/catalyst; Solvent; Pressure; Temperature; Autoclave;

DOI:10.1021/op0602369

Reference yield: 31.0%

methanol (67-56-1) + (E)-2-(4-methoxy-3-(3-methoxypropoxy)-benzylidene)-3-methylbutanoic acid (387868-07-7) → (E)-methyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate

Guidance literature:

With sulfuric acid; magnesium sulfate; for 48h; Reflux;

DOI:10.1002/chem.201202397

upstream raw materials:

C₁₈H₂₆O₅

Downstream raw materials:

(R)-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-(1-methylethyl)propanoic acid

(2S)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]-methyl}-3-methylbutyric acid

ethyl (E)-2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate