Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate

Base Information

Chemical Name:Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate
CAS No.:1114830-16-8
Molecular Formula:C10H13BrN2O2
Molecular Weight:273.129
Hs Code.:2933599090
DSSTox Substance ID:DTXSID10697546
Mol file:1114830-16-8.mol

Synonyms:TERT-BUTYL 2-(5-BROMOPYRIMIDIN-2-YL)ACETATE;1114830-16-8;DTXSID10697546;AKOS022173960;DS-6005;SB60527;tert-Butyl (5-bromopyrimidin-2-yl)acetate;C71383;A894723;TERT-BUTYL2-(5-BROMOPYRIMIDIN-2-YL)ACETATE

Suppliers and Price of Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate

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

Crysdot
tert-Butyl2-(5-bromopyrimidin-2-yl)acetate 98%
5g
$ 860.00

Crysdot
tert-Butyl2-(5-bromopyrimidin-2-yl)acetate 98%
1g
$ 285.00

Chemenu
tert-butyl2-(5-bromopyrimidin-2-yl)acetate 98%
1g
$ 269.00

Chemenu
tert-butyl2-(5-bromopyrimidin-2-yl)acetate 98%
5g
$ 813.00

Abosyn
tert-Butyl2-(5-bromopyrimidin-2-yl)acetate 95-98%
5g
$ 864.00

Abosyn
tert-Butyl2-(5-bromopyrimidin-2-yl)acetate 95-98%
1g
$ 288.00

Total 9 raw suppliers

Chemical Property of Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate

Chemical Property:

Boiling Point:313.4±22.0 °C(Predicted)
PKA:-0.52±0.22(Predicted)
PSA：52.08000
Density:1.404±0.06 g/cm3(Predicted)
LogP:2.12330
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:272.01604
Heavy Atom Count:15
Complexity:220

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-(5-bromopyrimidin-2-yl)acetate 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC1=NC=C(C=N1)Br

Technology Process of Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate

There total 3 articles about Tert-butyl 2-(5-bromopyrimidin-2-YL)acetate 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: 69.0%

: 1-(tert-butyl)-3-ethyl-2-(5-bromopyrimidin-2-yl)malonate

: 1114830-16-8
tert-butyl 2-(5-bromopyrimidin-2-yl)acetate

Guidance literature:: With water; sodium hydroxide; In methanol; at 20 ℃; for 5.5h;
DOI:10.1021/acs.joc.9b01133

Reference yield:

: 948594-79-4
1-tert-butyl 3-methyl 2-(5-bromopyrimidin-2-yl)malonate

: 1114830-16-8
tert-butyl 2-(5-bromopyrimidin-2-yl)acetate

Guidance literature:: With sodium hydroxide; water; In methanol; at 20 ℃; for 4h;
DOI:10.1016/j.tet.2008.11.064

Reference yield:

: 32864-38-3
tert-Butyl ethyl malonate

: 1114830-16-8
tert-butyl 2-(5-bromopyrimidin-2-yl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.08 h / 0 - 20 °C / Inert atmosphere; Schlenk technique

1.2: 21 h / Inert atmosphere; Schlenk technique; Heating

2.1: sodium hydroxide; water / methanol / 5.5 h / 20 °C

With water; sodium hydride; sodium hydroxide; In methanol; N,N-dimethyl-formamide; mineral oil;
DOI:10.1021/acs.joc.9b01133