Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4

Base Information

Chemical Name:Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4
CAS No.:679789-43-6
Molecular Formula:C₁₆H₂₂O₅
Molecular Weight:298.316
Hs Code.:
DSSTox Substance ID:DTXSID50477203
Mol file:679789-43-6.mol

Synonyms:679789-43-6;Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4;2,3,4,5-Tetradeuterio-6-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid;2-{[(2-ethyl-5-hydroxyhexyl)oxy]carbonyl}(?H?)benzoic acid;FT-0672472;Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4 (Mixture of Diastereomers);DTXSID50477203;HY-133677S;CS-0643421

Suppliers and Price of Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4

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

TRC
Mono(2-ethyl-5-hydroxyhexyl)Phthalate-d4(MixtureofDiastereomers)
1mg
$ 155.00

TRC
Mono(2-ethyl-5-hydroxyhexyl)Phthalate-d4(MixtureofDiastereomers)
0.5mg
$ 95.00

Medical Isotopes, Inc.
Mono(2-ethyl-5-hydroxyhexyl)Phthalate-d4(MixtureofDiastereomers)
1 mg
$ 675.00

Total 3 raw suppliers

Chemical Property of Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4

Chemical Property:

Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slig
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:298.17183078
Heavy Atom Count:21
Complexity:342

Purity/Quality:

>98% ^*data from raw suppliers

Mono(2-ethyl-5-hydroxyhexyl)Phthalate-d4(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCC(CC)CCC(C)O)[2H])[2H]
Uses An isotope labelled derivative of Mono(2-ethyl-5-hydroxyhexyl) Phthalate (M542510), a phthalate metabolite.

Technology Process of Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4

There total 2 articles about Mono(2-ethyl-5-hydroxyhexyl) Phthalate-d4 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%

: 679789-45-8
mono[2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl] (3,4,5,6-2H₄)-phthalate

: 679789-43-6
mono(2-ethyl-5-hydroxyhexyl) (3,4,5,6-2H₄)-phthalate

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 72h;
DOI:10.1007/s00706-003-0044-y

Reference yield:

: 498572-79-5
5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol

: 679789-43-6
mono(2-ethyl-5-hydroxyhexyl) (3,4,5,6-2H₄)-phthalate

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / pyridine / 72 h / 20 °C

2: 95 percent / tetrabutylammonium fluoride / tetrahydrofuran / 72 h / 20 °C

With tetrabutyl ammonium fluoride; In tetrahydrofuran; pyridine;
DOI:10.1007/s00706-003-0044-y