928-40-5

Basic information

• Product Name: 1,5-HEXANEDIOL
• Synonyms: 1,5-HEXANEDIOL;hexane-1,5-diol;1,5-Dihydroxyhexane;1-Methyl-1,5-pentanediol;Hexane-2,6-diol;1,5-Hexanediol 99%
• CAS NO: 928-40-5
• Molecular Formula: C₆H₁₄O₂
• Molecular Weight: 118.17
• EINECS: 213-171-3
• Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 928-40-5.mol
• Article Data: 36

Chemical Properties

• Melting Point: 26.38°C (estimate)
• Boiling Point: 89-91 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.981 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00189mmHg at 25°C
• Refractive Index: n20/D 1.451(lit.)
• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• PKA: 15.16±0.10(Predicted)
• CAS DataBase Reference: 1,5-HEXANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-HEXANEDIOL(928-40-5)
• EPA Substance Registry System: 1,5-HEXANEDIOL(928-40-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 2
• RTECS: MO2080000
• Hazardous Substances Data: 928-40-5(Hazardous Substances Data)

Usage

Description

1,5-Hexanediol is a diol compound with a six-carbon chain and two hydroxyl groups attached to the first and fifth carbon atoms. It is an important intermediate in the synthesis of various pharmaceuticals and chemicals.

Uses

Used in Pharmaceutical Industry:
1,5-Hexanediol is used as an intermediate in the synthesis of (R)-cis-5ξ-Methyl Atracurium Dibesylate (M288320), a derivative of Atracurium (A794500) Dibesylate. 1,5-Hexanediol exhibits neuromuscular blocking activity and is utilized in medical procedures that require muscle relaxation.
Additionally, 1,5-Hexanediol can be used as a building block in the production of other pharmaceuticals and chemical compounds, given its unique structure and reactivity. Its applications may extend to various industries, including cosmetics, personal care products, and industrial chemicals, depending on the specific formulations and reactions it can participate in.

InChI:InChI=1/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3

Upstream product

• 109610-72-2 6-(2-tetrahydropyranyl)oxy-2-hexanol 
• 627-96-3 1,5-dibromohexane 
• 505-03-3 5-oxohexanal 
• 13984-57-1 ethyl 5-oxohexanoate 
• 823-22-3 5-hexanolide 
• 37965-52-9 2-hexyl-7-methyl-[1,2]oxaborepane 
• 1192-62-7 1-(2-furyl)-1-ethanone 
• 13984-50-4 methyl levulinate 
• 3128-06-1 5-ketohexanoic acid 
• 75-07-0 acetaldehyde 
• 917-64-6 methyl magnesium iodide 
• 120-92-3 cyclopentanone 
• 821-41-0 5-Hexen-1-ol 
• 106-70-7 methyl hexanoate 

Downstream Products

• 10141-72-7 2-methyloxane 
• 94124-47-7 6-(tert-Butyl-methoxy-phenyl-silanyloxy)-hexan-2-ol 
• 823-22-3 5-hexanolide 
• 4286-55-9 1-bromo-6-hexanol 
• 34198-08-8 5-bromohexan-1-ol 
• 64997-49-5 4-bromohexanol 
• 158527-84-5 1,5-bis-trimethylsilyloxyhexane 
• 128733-41-5 Benzoic acid 5-trimethylsilanyloxy-hexyl ester 
• 128733-40-4 Benzoic acid 1-methyl-5-trimethylsilanyloxy-pentyl ester 
• 98936-67-5 (S)-hexane-1,5-diyl dibenzoate 
• 54844-23-4 5-benzoxy-1-hexanol 
• 98936-68-6 1-benzoyloxy-5-hydroxyhexane 
• 121671-80-5 tert-butyldiphenylsilyl 5-hydroxyhexyl ether 
• 21856-89-3 6-hydroxy-2-hexanone 

Relevant articles and documents

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Enantioselective Synthesis Muqubilin and Negombatoperoxides B and C/D

Muqubilin, negombatoperoxide B, and negombatoperoxide C/D were synthesized through enantioselective routes, with the quaternary center derived from a peroxy chiral building block of known absolute configuration. The C-2/C-3 stereogenic centers were introduced by asymmetric aldol condensation, and the 1,2-dioxane ring was constructed via an intramolecular alkylation of a hydroperoxide with a mesylate. The synthetic samples showed physical and spectroscopic data consistent with those reported in the literature and thus verified the configurations of the natural products. A potentially more expeditious enantioselective entry to the 1,2-dioxane-aldol moiety (C-1 to C-6) of such cyclic peroxides was also briefly explored, where the C-2/C-3 stereogenic centers were installed through a [2+2] cycloaddition and the 1,2-dioxane ring was closed via an intramolecular alkylation coupled with an alkyl-oxygen cleavage of a β-lactone.

Metal complex and preparation method and application thereof

The invention discloses a post-transition metal bisphosphine diamine complex catalyst which is good in substrate applicability, and capable of efficiently catalyzing a hydrogenation alcohol productionreaction of various carbonyl derivatives such as esters, amides and carbonates different in structure. Central metal coordination of the metal complex catalyst has two diaminodiphosphine ligands o-PPh2C6H4NR1R2 and Ph2PCH2CH2NR3R4 (or o-PPh2C6H4CH2NR3R4, Ph2P(CH2) 3NR3R4) different in structure, and the metal complex can be obtained through a simple two-step synthesis method. The catalysts show the advantages of the two ligands in the catalytic hydrogenation process, and the defects of a complex catalyst formed by a single ligand in the aspect of applicability of substrates can be effectivelyovercome.