2-Pentanone-1,1,1,3,3-d5

Base Information

Chemical Name:2-Pentanone-1,1,1,3,3-d5
CAS No.:24313-49-3
Molecular Formula:CH3CH2CD2COCD3
Molecular Weight:91.0941
Hs Code.:
European Community (EC) Number:686-095-5
DSSTox Substance ID:DTXSID20475670
Nikkaji Number:J1.721.706B
Wikidata:Q82306351
Mol file:24313-49-3.mol

Synonyms:2-Pentanone-1,1,1,3,3-d5;24313-49-3;1,1,1,3,3-pentadeuteriopentan-2-one;Ethyl(acetone-d5);DTXSID20475670;Pentan-2-one-1,1,1,3,3-d5;1, 1, 1, 3, 3-pentadeuteriopentan-2-one;D99175;2-Pentanone-1,1,1,3,3-d5, 98 atom % D;A935644

Suppliers and Price of 2-Pentanone-1,1,1,3,3-d5

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

Medical Isotopes, Inc.
2-Pentanone-1,1,1,3,3-d5
5 g
$ 1550.00

American Custom Chemicals Corporation
2-PENTANONE-1,1,1,3,3-D5 95.00%
5MG
$ 498.85

Total 3 raw suppliers

Chemical Property of 2-Pentanone-1,1,1,3,3-d5

Chemical Property:

Melting Point:-78oC(lit.)
Boiling Point:101-105oC(lit.)
Flash Point:7oC
PSA：17.07000
Density:0.855 g/mL at 25oC
LogP:1.37550
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:91.104548668
Heavy Atom Count:6
Complexity:47.9

Purity/Quality:

98%min ^*data from raw suppliers

2-Pentanone-1,1,1,3,3-d5 ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xn
Hazard Codes:F,Xn
Statements: 11-22-36/37/38
Safety Statements: 9-16-26-29-33-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)C
Isomeric SMILES:[2H]C([2H])([2H])C(=O)C([2H])([2H])CC
Uses 2-Pentanone-1,1,1,3,3-d5 (CAS# 24313-49-3) is a useful isotopically labeled research compound.

Technology Process of 2-Pentanone-1,1,1,3,3-d5

There total 4 articles about 2-Pentanone-1,1,1,3,3-d5 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: 92.0%

: 107-87-9
2-Pentanone

: 24313-49-3
2-pentanone-1,1,1,3,3-d₅

Guidance literature:: With water-d2; potassium carbonate; In water-d2; for 72h; Heating / reflux;

Reference yield: 31.7%

: 13043-82-8
acetyl propionyl peroxide

: 24313-49-3
2-pentanone-1,1,1,3,3-d₅

: 676-49-3
Monodeuteromethan

: 5505-49-7
ethane-d

: 141-78-6
ethyl acetate

Guidance literature:: With acetone; at 49.85 - 99.85 ℃; Further Variations:; Temperatures; time; Kinetics; Activation energy; Product distribution;
DOI:10.1007/s11176-005-0089-1

Reference yield:

: 109-67-1
1-penten

: 24313-49-3
2-pentanone-1,1,1,3,3-d₅

Guidance literature:: With Rh(III)(tetra(p-sulfonatophenyl)porphyrinato)(OD₂)2^(3-); water-d2; at 60 ℃; pH=9; borate buffer;
DOI:10.1039/b904414k