Butanedioic acid, 2-(3-forMyl-4-hydroxyphenyl)-, 1,4-diMethyl ester

Base Information

• Chemical Name: Butanedioic acid, 2-(3-forMyl-4-hydroxyphenyl)-, 1,4-diMethyl ester
• CAS No.: 488713-20-8
• Molecular Formula: C13H14O6
• Molecular Weight: 266.251
• Mol file: 488713-20-8.mol

Synonyms:

Chemical Property of Butanedioic acid, 2-(3-forMyl-4-hydroxyphenyl)-, 1,4-diMethyl ester

Chemical Property:

• Boiling Point: 375.2±42.0 °C(Predicted)
• PKA: 7.82±0.31(Predicted)
• Density: 1.291±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl2-(3-formyl-4-hydroxyphenyl)succinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butanedioic acid, 2-(3-forMyl-4-hydroxyphenyl)-, 1,4-diMethyl ester

There total 9 articles about Butanedioic acid, 2-(3-forMyl-4-hydroxyphenyl)-, 1,4-diMethyl ester 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: 89.0%

(4-hydroxy-phenyl)-succinic acid dimethyl ester (136705-25-4) → 2-(3-formyl-4-hydroxy-phenyl)-succinic acid dimethyl ester (488713-20-8)

Guidance literature:

With hydrogenchloride; triethanolamine; magnesium chloride; paraformaldehyde; In acetonitrile;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (4-hydroxy-phenyl)-succinic acid dimethyl ester (136705-25-4) → 2-(3-formyl-4-hydroxy-phenyl)-succinic acid dimethyl ester (488713-20-8)

Guidance literature:

With TEA; magnesium chloride; In acetonitrile; for 4h; Heating;

DOI:10.1016/j.bmcl.2005.12.040

Reference yield:

(E)-2-(4-Hydroxy-phenyl)-but-2-enedioic acid dimethyl ester → 2-(3-formyl-4-hydroxy-phenyl)-succinic acid dimethyl ester (488713-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd(OH)2/C / methanol / 2585.74 Torr

2: MgCl₂; TEA / acetonitrile / 4 h / Heating

With TEA; hydrogen; magnesium chloride; palladium dihydroxide; In methanol; acetonitrile;

DOI:10.1016/j.bmcl.2005.12.040

upstream raw materials:

formaldehyd

(4-hydroxy-phenyl)-succinic acid dimethyl ester

para-iodoanisole

2-(4'-hydroxyphenyl)butane-1,4-dioic acid

Downstream raw materials:

2-(3-bromo-5-formyl-4-hydroxy-phenyl)-succinic acid dimethyl ester

2-[3-bromo-5-formyl-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester

2-[3-formyl-4-(2-methoxy-ethoxymethoxy)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-phenyl]-succinic acid dimethyl ester

2-[5'-cyano-5-formyl-6,2'-bis-(2-methoxy-ethoxymethoxy)-biphenyl-3-yl]-succinic acid dimethyl ester

Refernces

• 1、 Young, Wendy B.,Rai, Roopa,Shrader, William D.,Burgess-Henry, Jana,Hu, Huiyong,Elrod, Kyle C.,Sprengeler, Paul A.,Katz, Bradley A.,Sukbuntherng, Juthamas,Mordenti, Joyce. "Small molecule inhibitors of plasma kallikrein". . p. 2034 - 2036. Retrieved 2007/10/03.
• 2、 Kolesnikov, Aleksandr,Rai, Roopa,Young, Wendy B.,Mordenti, Joyce,Liu, Liang,Torkelson, Steven,Shrader, William D.,Leahy, Ellen M.,Hu, Huiyong,Gjerstad, Erik,Janc, James,Katz, Bradley A.,Sprengeler, Paul A.. "Factor VIIa inhibitors: Improved pharmacokinetic parameters". . p. 2243 - 2246. Retrieved 2007/10/03.