3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone

Base Information

Chemical Name:3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone
CAS No.:764661-25-8
Molecular Formula:C₁₀H₁₀N₂O₂
Molecular Weight:194.17
Hs Code.:
DSSTox Substance ID:DTXSID10478554
Mol file:764661-25-8.mol

Synonyms:3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone;764661-25-8;3-(2,4,5,6-tetradeuteriopyridine-3-carbonyl)pyrrolidin-2-one;SCHEMBL19463443;DTXSID10478554

Suppliers and Price of 3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone

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
3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone
50mg
$ 875.00

TRC
3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone
5mg
$ 110.00

Medical Isotopes, Inc.
3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone
25 mg
$ 1880.00

Total 4 raw suppliers

Chemical Property of 3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone

Chemical Property:

PSA：62.55000
LogP:0.67630
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:194.099334550
Heavy Atom Count:14
Complexity:253

Purity/Quality:

99% ^*data from raw suppliers

3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC(=O)C1C(=O)C2=CN=CC=C2
Isomeric SMILES:[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)C2CCNC2=O)[2H]

Technology Process of 3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone

There total 1 articles about 3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone 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:

: 14468-90-7
N-trimethylsilyl-pyrrolidin-2-one

: 66148-16-1
2,4,5,6-tetradeuterio-nicotinic acid ethyl ester

: 764661-25-8
3-(2,4,5,6-tetradeuterio-nicotinoyl)pyrrolidin-2-one

Guidance literature:: N-trimethylsilyl-pyrrolidin-2-one; With n-butyllithium; diisopropylamine; In diethyl ether; at -78 - -15 ℃; for 0.333333h;

2,4,5,6-tetradeuterio-nicotinic acid ethyl ester; In diethyl ether; at -78 - 20 ℃;
DOI:10.1007/s00706-003-0152-8

Reference yield: 68.0%

: 764661-25-8
3-(2,4,5,6-tetradeuterio-nicotinoyl)pyrrolidin-2-one

: 66148-17-2
2,4,5,6-tetradeuterio-myosmine

Guidance literature:: With hydrogenchloride; for 24h; Heating;
DOI:10.1007/s00706-003-0152-8

Reference yield:

: 764661-25-8
3-(2,4,5,6-tetradeuterio-nicotinoyl)pyrrolidin-2-one

: 66148-19-4
2,4,5,6-tetradeuterio-N-nitosonornicotine

Guidance literature:: Multi-step reaction with 3 steps

1: 68 percent / aq. HCl / 24 h / Heating

2: acetic acid; NaBH₄ / methanol / 20 °C

3: 87 percent / aq. HCl; aq. NaNO₂ / 72 h / 20 °C

With hydrogenchloride; sodium tetrahydroborate; acetic acid; sodium nitrite; In methanol;
DOI:10.1007/s00706-003-0152-8