(4S-cis)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester

Base Information

• Chemical Name: (4S-cis)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
• CAS No.: 196085-85-5
• Molecular Formula: C₁₄H₂₃NO₄
• Molecular Weight: 269.341
• Mol file: 196085-85-5.mol

Synonyms:1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S-cis)- (9CI)

Chemical Property of (4S-cis)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester

Chemical Property:

• Melting Point: 53-55°C
• Boiling Point: 364.1±17.0 °C(Predicted)
• PSA: 68.55000
• Density: 1.016±0.06 g/cm3(Predicted)
• LogP: 2.54208
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

NLT 98% ^*data from raw suppliers

(4S,6S)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-aceticAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (4S,6S)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester (cas# 196085-85-5) is a compound useful in organic synthesis.

Technology Process of (4S-cis)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester

There total 1 articles about (4S-cis)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester 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:

tert-butyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate (1105067-92-2) + 2,2-dimethoxy-propane (77-76-9) → tert-butyl (4S,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate (196085-85-5,196085-84-4)

Guidance literature:

With toluene-4-sulfonic acid; In acetone; at 25 ℃; for 5h;

DOI:10.1135/cccc20080229

Reference yield:

tert-butyl (4S,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate (196085-85-5,196085-84-4) → tert-butyl (4S,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate (947586-93-8)

Guidance literature:

With ammonia; hydrogen; In methanol; at 40 ℃; for 5h; under 6075.61 Torr;

DOI:10.1135/cccc20080229

upstream raw materials:

tert-butyl (3S,5S)-6-cyano-3,5-dihydroxyhexanoate

2,2-dimethoxy-propane

Downstream raw materials:

tert-butyl (4S,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Refernces