Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

Base Information

Chemical Name:Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
CAS No.:138536-73-9
Molecular Formula:C14H18O4
Molecular Weight:250.29000
Hs Code.:
DSSTox Substance ID:DTXSID301244779
ChEMBL ID:CHEMBL1304741
Mol file:138536-73-9.mol

Synonyms:methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate;138536-73-9;TimTec1_005875;MLS000728720;CHEMBL1304741;DTXSID301244779;HMS1550L01;HMS2689H13;Benzoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-, methyl ester;MFCD02934401;STK735132;AKOS001754486;NCGC00173426-01;LS-08621;SMR000306999;CS-0316497;methyl4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate;SR-01000534946;SR-01000534946-1

Suppliers and Price of Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
1g
$ 200.00

Matrix Scientific
Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
5g
$ 700.00

Crysdot
Methyl4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate 97%
5g
$ 527.00

Total 2 raw suppliers

Chemical Property of Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

Chemical Property:

PSA：44.76000
LogP:2.54480
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:250.12050905
Heavy Atom Count:18
Complexity:282

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:

Useful:

Canonical SMILES:CC1(COC(OC1)C2=CC=C(C=C2)C(=O)OC)C

Technology Process of Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

There total 1 articles about Methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate 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: 100.0%

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 1571-08-0
methyl 4-formylbenzoate

: 138536-73-9
4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-benzoic acid methyl ester

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 2h; Heating;
DOI:10.1246/bcsj.64.3005

Reference yield: 75.0%

: 138536-73-9
4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-benzoic acid methyl ester

: 127462-96-8
[4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-phenyl]-methanol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; 0 deg C to r.t.;
DOI:10.1246/bcsj.64.3005

Reference yield: 33.0%

: 138536-73-9
4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-benzoic acid methyl ester

: 1071908-20-7
C₁₄H₂₀O₄

Guidance literature:: With triethylsilane; trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1021/jo8013726