(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid

HCID 2735950

Notes Reactions

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Basic information

CAS: 109299-79-8
Standard SMILES: CC(C)(C)Oc1ncc(B(O)O)c(OC(C)(C)C)n1
InChIKey: SOJAZSRAXNFWRH-UHFFFAOYSA-N
Molecular formula: C12H21BN2O4
Average molar mass: 268.12 g/mol
Monoisotopic mass: 268.15943755

Names & identifiers

Preferred name: (2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid
IUPAC: [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid
English name: 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate
Molecular formula: C12H21BN2O4
Molecular weight: 268.12

Names & synonyms

109299-79-8(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid2,4-Di(tert-butoxy)pyrimidine-5-boronic acid2,4-ditert-butoxypyrimidin-5-ylboronic acid2,4-Di-tert-butoxypyrimidine-5-boronic acid[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acidC12H21BN2O4MFCD01318980(2,4-Ditert-butoxypyrimidin-5-yl)boronic acid[2,4-bis(tert-butoxy)pyrimidin-5-yl]boronic acid[2,4-Di(tert-butoxy)pyrimidin-5-yl]boronic Acid; (2,4-Di-tert-butyloxypyrimidin-5-yl)boronic Acid; B-[2,4-Bis(1,1-dimethylethoxy)-5-pyrimidinyl]boronic Acid;(2,4-Di-tert-butoxypyrimidin-5-yl)boronicacid

Show more names

2,4-bis(tert-butoxy)pyrimidin-5-ylboronic acid hydrate(2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid - [D88735]Boronic acid, B-[2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-2,4-Di(tert-butoxy)pyrimidine-5-boronic acid (contains varying amounts of Anhydride)2,4-Di(tert-butoxy)pyriMidin-5-ylboronic acid hydrate, 97%, Variable anhydride content2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate, May contain varying amounts of anhydride, 97%

AF-399/25030004SCHEMBL561353DTXSID90371039SOJAZSRAXNFWRH-UHFFFAOYSA-NAKOS000320209AB08792SB607132,4-Ditertbutoxypyrimidin-5-ylboronicacid

Database identifiers

CAS: 109299-79-8
PubChem CID: 2735950
DTXSID: DTXSID90371039

Properties

Computed structural properties

Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 288

Physicochemical properties

Boiling point: 431.4 · 431.4±55.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: 2.55 · 2.55±0.53(Predicted)
color: Pale Yellow to Light Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Di(tert-butoxy)pyrimidine-5-boronic Acid is a useful reagent for the synthesis of flexible nucleosides, which could create potential anticancer and antiviral drugs.

Upstream & downstream products

Upstream raw materials

2,4-Di-(tert-butoxy)-5-bromopyrimidine

Suppliers50 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

4 records

New reaction record

HRID 12660As reactantuspto-grants-2010_06

HRID 302538As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 808641As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1042260As reactantuspto-grants-2013_10

Compound notes

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