5-Hydroxypentanal

Base Information

• Chemical Name: 5-Hydroxypentanal
• CAS No.: 4221-03-8
• Molecular Formula: C5H10 O2
• Molecular Weight: 102.133
• Hs Code.: 2912491000
• European Community (EC) Number: 224-165-5
• NSC Number: 62080
• DSSTox Substance ID: DTXSID30195039
• Nikkaji Number: J205.645C
• Wikidata: Q27460635
• Mol file: 4221-03-8.mol

Synonyms:5-hydroxypentanal

Chemical Property of 5-Hydroxypentanal

Chemical Property:

• Vapor Pressure: 0.172mmHg at 25°C
• Refractive Index: 1.4300 (estimate)
• Boiling Point: 187.7°Cat760mmHg
• PKA: 15.08±0.10(Predicted)
• Flash Point: 72°C
• PSA: 37.30000
• Density: 0.964g/cm³
• LogP: 0.34790
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 43.3

Purity/Quality:

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

5-Hydroxypentanal ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCO)CC=O

Technology Process of 5-Hydroxypentanal

There total 30 articles about 5-Hydroxypentanal 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: 95.0%

C10H18O4 → 5-hydroxypentanal (4221-03-8)

Guidance literature:

With water; acetic acid;

Reference yield: 91.0%

5-O-allyl-1-pentanal → 5-hydroxypentanal (4221-03-8)

Guidance literature:

With iodine; (Bu₄N)₂S₂O₈; In water; acetonitrile; at 50 ℃; for 1h;

Reference yield: 90.0%

1 ,5-pentanediol (111-29-5) → 5-hydroxypentanal (4221-03-8)

Guidance literature:

With sulfuric acid; quinolinium dichromate(VI); In water; at 49.9 ℃; Rate constant; Thermodynamic data; Kinetics; oxidant and substrate concentrations dependence, solvent dependence, various diols;

DOI:10.1021/jo961079m

upstream raw materials:

TETRAHYDROFURFURYLAMINE

3,4-dihydro-2H-pyran

1 ,5-pentanediol

cyclopentyl peroxy radical

Downstream raw materials:

5-(4-hydroxybutyl)hydantoin

2-(2-diethylamino-ethoxy)-4-(5-hydroxy-pentylamino)-benzoic acid ethyl ester

3,4,5,6-tetrahydro-2H-pyran-2-one

1,5-pentanedioic acid

Refernces

• 1、 Morales, Omar,Seide, Wesley,Watson, Samuel. "Synthesis of 7,6-fused bicyclic lactams for use as beta-turn mimics". . p. 965 - 973. Retrieved 2006.
• 2、 Murphy, Patrick J.,Williams, Harri Lloyd,Hursthouse, Michael B.,Malik, K. M. Abdul. "Synthetic Studies towards Ptilomycalin A using a Biomimetic Approach". . p. 119 - 120. Retrieved 1994.
• 3、 Campiani, Giuseppe,Gemma, Sandra,Gimmelli, Roberto,Guidi, Alessandra,Prasanth Saraswati, A.,Relitti, Nicola,Ruberti, Giovina,Saccoccia, Fulvio,Sirignano, Carmina,Taglialatela-Scafati, Orazio. "(+)-(R)- and (?)-(S)-Perhexiline maleate: Enantioselective synthesis and functional studies on Schistosoma mansoni larval and adult stages". . . Retrieved 2020/07/13.
• 4、 -. "Lipid nanoparticle formulations of non-viral capsid-free DNA vectors". Paragraph 0350. . Retrieved 2020/09/26.