2-(2-Hydroxypropyl)-6-methyl-1,3-dioxan-4-ol

Base Information

• Chemical Name: 2-(2-Hydroxypropyl)-6-methyl-1,3-dioxan-4-ol
• CAS No.: 19404-07-0
• Molecular Formula: C₈H₁₆O₄
• Molecular Weight: 176.213
• DSSTox Substance ID: DTXSID10941112
• Nikkaji Number: J14.070H
• Mol file: 19404-07-0.mol

Synonyms:2-(2-hydroxypropyl)-4-hydroxy-6-methyl-1,3-dioxane;paraldol

Chemical Property of 2-(2-Hydroxypropyl)-6-methyl-1,3-dioxan-4-ol

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Melting Point: 90°C
• Refractive Index: 1.4610 (estimate)
• Boiling Point: 300.8°C at 760 mmHg
• PKA: 12.54±0.60(Predicted)
• Flash Point: 135.7°C
• PSA: 58.92000
• Density: 1.118g/cm³
• LogP: 0.22720
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.10485899
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(OC(O1)CC(C)O)O

Technology Process of 2-(2-Hydroxypropyl)-6-methyl-1,3-dioxan-4-ol

There total 3 articles about 2-(2-Hydroxypropyl)-6-methyl-1,3-dioxan-4-ol 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:

α-acetoxy-N-nitrosopyrrolidine (59435-85-7) + calf thymus DNA → 2-hydroxytetrahydrofuran (5371-52-8) + 2-(2-hydroxypropyl)-4-hydroxy-6-methyl-1,3-dioxane (7653-39-6,7666-40-2,19404-07-0) + N2-(tetrahydrofuran-2-yl)deoxyguanosine (163088-94-6)

Guidance literature:

α-acetoxy-N-nitrosopyrrolidine; calf thymus DNA; In phosphate buffer; at 37 ℃; for 20h; pH=7.0;

With phosphodiesterase I; at 37 ℃; for 1.16667h; pH=7.0;

DOI:10.1021/tx980165+

Reference yield:

α-acetoxy-N-nitrosopyrrolidine (59435-85-7) + calf thymus DNA → 2-hydroxytetrahydrofuran (5371-52-8) + 2-(2-hydroxypropyl)-4-hydroxy-6-methyl-1,3-dioxane (7653-39-6,7666-40-2,19404-07-0) + 2-amino-8-hydroxy-5,6,7,8-tetrahydro-3H-1,3,4b,9-tetraaza-fluoren-4-one + 8-hydroxy-3-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methyl-5,6,7,8-tetrahydro-3H-1,3,4,5,8a-pentaaza-cyclopenta[b]naphthalen-9-one

Guidance literature:

α-acetoxy-N-nitrosopyrrolidine; calf thymus DNA; In phosphate buffer; at 37 ℃; for 20h; pH=7.0;

at 100 ℃; for 1h; pH=7.0; Further byproducts given;

DOI:10.1021/tx980165+

Reference yield:

trans-Crotonaldehyde (123-73-9,4170-30-3) + calf thymus DNA → 2-(2-hydroxypropyl)-4-hydroxy-6-methyl-1,3-dioxane (7653-39-6,7666-40-2,19404-07-0) + 6-amino-1-hydroxy-3-methyl-2,3-dihydro-1H,5H-3a,5,7,8-tetraaza-cyclopenta[a]inden-4-one + 6-amino-1-hydroxy-3-methyl-2,3-dihydro-1H,5H-3a,5,7,8-tetraaza-cyclopenta[a]inden-4-one + 8-hydroxy-3-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methyl-5,6,7,8-tetrahydro-3H-1,3,4,5,8a-pentaaza-cyclopenta[b]naphthalen-9-one

Guidance literature:

trans-Crotonaldehyde; calf thymus DNA; In phosphate buffer; at 37 ℃; for 20h; pH=7.0;

at 100 ℃; for 1h; pH=7.0;

DOI:10.1021/tx980165+

upstream raw materials:

trans-Crotonaldehyde

α-acetoxy-N-nitrosopyrrolidine

Downstream raw materials:

3-hydroxy-butyraldehyde-(2,4-dinitro-phenylhydrazone)

crotonaldehyde 2,4-dinitrophenylhydrazone

crotonaldehyde

3-Hydroxybutyric acid

Refernces