DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

Base Information

• Chemical Name: DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE
• CAS No.: 181425-91-2
• Molecular Formula: C13H16 O5
• Molecular Weight: 252.267
• Mol file: 181425-91-2.mol

Synonyms:1,3-Benzenedicarboxylicacid, 5-(hydroxymethyl)-, diethyl ester (9CI); 5-(Hydroxymethyl)isophthalicacid diethyl ester; Diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate; Diethyl5-(hydroxymethyl)isophthalate

Chemical Property of DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

Chemical Property:

• Vapor Pressure: 4.54E-07mmHg at 25°C
• Melting Point: 82-85 °C(lit.)
• Refractive Index: 1.53
• Boiling Point: 398.6°C at 760 mmHg
• PKA: 14.25±0.10(Predicted)
• Flash Point: 148.7°C
• PSA: 72.83000
• Density: 1.189g/cm³
• LogP: 1.53230

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl 5-(hydroxymethyl)isophthalate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

There total 2 articles about DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE 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: 91.0%

1,3-bis(ethoxycarbonyl)benzoic acid (4105-93-5) → diethyl 5-(hydroxymethyl)isophthalate (181425-91-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2010.02.097

Reference yield: 60.0%

triethyl benzene-1,3,5-tricarboxylate (4105-92-4) → diethyl 5-(hydroxymethyl)isophthalate (181425-91-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; for 0.5h; Heating;

DOI:10.1021/ja991738n

Reference yield: 100.0%

tert-butylchlorodiphenylsilane (58479-61-1) + diethyl 5-(hydroxymethyl)isophthalate (181425-91-2) → 5-(tert-butyl-diphenyl-silanyloxymethyl)-isophthalic acid diethyl ester (269411-88-3)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.200900589

upstream raw materials:

1,3-bis(ethoxycarbonyl)benzoic acid

triethyl benzene-1,3,5-tricarboxylate

Downstream raw materials:

5-(bromomethyl)isophthalic acid diethyl ester

5-formylisophthalic acid diethyl ester

5-(tert-butyl-diphenyl-silanyloxymethyl)-isophthalic acid diethyl ester

5-(tert-butyl-dimethyl-silanyloxymethyl)-isophthalic acid diethyl ester

Refernces

• 1、 MacHacek, Miloslav,Kollár, Jan,Miletin, Miroslav,Ku?era, Radim,Kubát, Pavel,Simunek, Tomas,Novakova, Veronika,Zimcik, Petr. "Anionic hexadeca-carboxylate tetrapyrazinoporphyrazine: Synthesis and in vitro photodynamic studies of a water-soluble, non-aggregating photosensitizer". . p. 10064 - 10077. Retrieved 2016/02/05.
• 2、 Bhosale, Sheshanath V.,Kalyankar, Mohan B.,Langibrd, Steven J.,Bhosale, Sidhanath V.,Oliver, Ruth F.. "Synthesis and supramolecular properties of a novel octaphosphonate porphyrin". experimental part. p. 4128 - 4134. Retrieved 2009/12/26.