2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic Acid

Base Information

• Chemical Name: 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic Acid
• CAS No.: 14048-58-9
• Molecular Formula: C₁₀H₁₄O₇
• Molecular Weight: 246.217
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20407133
• Mol file: 14048-58-9.mol

Synonyms:14048-58-9;2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic Acid;21532-38-7;2-methyl-5-(1,2,3,4-tetrahydroxybutyl)-3-furoic acid;starbld0005540;DTXSID20407133;2-Methyl-5-((1S,2R,3R)-1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic acid;HMS1783H16;2,6-Difluoro-3-chloroacetophenone;AKOS022180356;CS-0288669;EN300-13759;SR-01000071127;SR-01000071127-1;1,4-Anhydro-2-carboxy-2,3-dideoxy-1-methylocta-1,3-dienitol

Chemical Property of 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 1.76E-14mmHg at 25°C
• Boiling Point: 584°Cat760mmHg
• PKA: 4.37±0.26(Predicted)
• Flash Point: 307°C
• PSA: 131.36000
• Density: g/cm³
• LogP: -0.96630
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 246.07395278
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C(C(C(CO)O)O)O)C(=O)O

Technology Process of 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic Acid

There total 11 articles about 2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylic 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: 80.0%

ethyl 2-methyl-5-(D-arabino-tetritol-1-yl)furan-3-carboxylate (3351-43-7) → 5-(D-arabino-tetroxybutyl)-3-methyl-furoic acid (14048-58-9)

Guidance literature:

ethyl 2-methyl-5-(D-arabino-tetritol-1-yl)furan-3-carboxylate; With sodium hydroxide; In ethanol; at 60 ℃; for 3h;

With IR-120 (H⁺); In methanol;

DOI:10.1016/S0040-4039(00)02266-8

Reference yield: 58.0%

methyl 5-(D-arabino-tetroxybutyl)-2-methyl-3-furoate (17651-08-0) → 5-(D-arabino-tetroxybutyl)-3-methyl-furoic acid (14048-58-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 80 ℃; for 4h;

Reference yield: 54.0%

5-(D-arabino-tetroxybutyl)-3-carbamoyl-2-methyl-furan (81661-22-5) → 5-(D-arabino-tetroxybutyl)-3-methyl-furoic acid (14048-58-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 80 ℃; for 4h;

upstream raw materials:

ethyl 2-methyl-5-(D-arabino-tetritol-1-yl)furan-3-carboxylate

1-{2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-3-furyl}-1-ethanone

methyl 5-(D-arabino-tetroxybutyl)-2-methyl-3-furoate

5-(D-arabino-tetroxybutyl)-3-carbamoyl-2-methyl-furan

Downstream raw materials:

5-Formyl-2-methyl-furan-3-carbonsaeure