1,2,5-Pentanetriol

Base Information

• Chemical Name: 1,2,5-Pentanetriol
• CAS No.: 14697-46-2
• Molecular Formula: C5H12 O3
• Molecular Weight: 120.148
• Hs Code.: 2905499000
• European Community (EC) Number: 238-747-1
• NSC Number: 44963
• UNII: H8PYY84FFG
• DSSTox Substance ID: DTXSID901030714
• Nikkaji Number: J227.150H
• Mol file: 14697-46-2.mol

Synonyms:(?à)-1,2,5-Pentanetriol;1,4,5-Pentanetriol; NSC 44963; Pentan-1,2,5-triol; dl-1,2,5-Pentanetriol

Chemical Property of 1,2,5-Pentanetriol

Chemical Property:

• Vapor Pressure: 2.62E-05mmHg at 25°C
• Refractive Index: 1.4740 to 1.4770
• Boiling Point: 320.2°Cat760mmHg
• PKA: 14.28±0.20(Predicted)
• Flash Point: 166°C
• PSA: 60.69000
• Density: 1.155g/cm³
• LogP: -0.88790
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 120.078644241
• Heavy Atom Count: 8
• Complexity: 46.9

Purity/Quality:

98% ^*data from raw suppliers

1,2,5-Pentanetriol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(CO)O)CO
• Uses: 1,2,5-Pentanetriol is used as a modifier in the preparation of polyoxymethylene having excellent impact resistance.

Technology Process of 1,2,5-Pentanetriol

There total 30 articles about 1,2,5-Pentanetriol 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: 94.0%

1,2,5-triacetoxypentane (5470-86-0) → 1,2,5-pentanetriol (14697-46-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0040-4039(97)01638-9

Reference yield: 90.0%

5-hydroxy-4-oxopentanal (31082-85-6) → 1,2,5-pentanetriol (14697-46-2)

Guidance literature:

With methanol; sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 1h; Reagent/catalyst; Temperature;

DOI:10.1002/cssc.201900601

Reference yield: 82.0%

4-(3-benzyloxy-propyl)-2-phenyl-[1,3]dioxolane → 1,2,5-pentanetriol (14697-46-2)

Guidance literature:

With hydrogen; nickel; In ethanol; at 20 ℃; under 750.06 Torr;

DOI:10.1016/j.tetlet.2006.03.189

upstream raw materials:

furfural

(2-furyl)methyl alcohol

1,2,5-triacetoxypentane

α-ketoglutaric acid

Downstream raw materials:

4-hydroxybutyraldehyde

Tetrahydrofurfuryl alcohol

n-Pent-4-enyl alcohol

2,2-dimethyl-4-(3-hydroxypropyl)-1,3-dioxolane

Refernces

• 1、 Sugai, Takeshi,Ikeda, Hajime,Ohta, Hiromichi. "Biocatalytic approaches to both enantiomers of (2R*,3S*)-2-allyloxy-3,4,5,6-tetrahydro-2H-pyran-3-ol". . p. 8123 - 8134. Retrieved 1996.
• 2、 Simeonov, Svilen P.,Ravutsov, Martin A.,Mihovilovic, Marko D.. "Biorefinery via Achmatowicz Rearrangement: Synthesis of Pentane-1,2,5-triol from Furfuryl Alcohol". . p. 2748 - 2754. Retrieved 2019.
• 3、 Tong, Zhikun,Li, Xiang,Dong, Jingyu,Gao, Rui,Deng, Qiang,Wang, Jun,Zeng, Zheling,Zou, Ji-Jun,Deng, Shuguang. "Adsorption Configuration-Determined Selective Hydrogenative Ring Opening and Ring Rearrangement of Furfural over Metal Phosphate". . . Retrieved 2021.
• 4、 -. "Method for converting furfural into 1, 2, 5-pentanetriol through hydrogenation hydrolysis". Paragraph 0020-0043. . Retrieved 2021/01/04.