4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

Base Information

Chemical Name:4-(N,N-Dimethylaminocarbonyl)phenylboronic acid
CAS No.:405520-68-5
Molecular Formula:C9H12BNO3
Molecular Weight:193.01
Hs Code.:2931900090
European Community (EC) Number:686-924-0
DSSTox Substance ID:DTXSID80393109
Wikidata:Q72469608
Mol file:405520-68-5.mol

Synonyms:405520-68-5;4-(N,N-Dimethylaminocarbonyl)phenylboronic acid;(4-(Dimethylcarbamoyl)phenyl)boronic acid;4-(dimethylcarbamoyl)phenylboronic acid;[4-(dimethylcarbamoyl)phenyl]boronic Acid;4-(N,N-Dimethylcarbamoyl)phenylboronic acid;4-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID;MFCD02258943;BORONIC ACID, [4-[(DIMETHYLAMINO)CARBONYL]PHENYL]-;SUBSTANCEP(7-11);SCHEMBL134473;DTXSID80393109;QJYYVSIRDJVQJW-UHFFFAOYSA-N;BBL102099;STL555898;AKOS015850617;N,N-DIMETHYL 4-BORONOBENZAMIDE;AB11702;CS-W000926;4-(dimethylcarbamoyl)-phenylboronic acid;4-(dimethyl carbamoyl)phenyl boronic acid;4-dimethylaminocarbonylphenyl boronic acid;AS-14944;SY031070;(4-(dimethylcarbamoyl)phenyl)-boronic acid;4-(Dihydroxyboryl)-(N,N-dimethylbenzamide);AM20050470;D5226;FT-0644591;4-[(dimethylamino)carbonyl]phenylboronic acid;{4-[(dimethylamino)carbonyl]phenyl}boronic acid;4-(Dimethylcarbamoyl)phenylboronic acid, >=94%;EN300-7358576;[4-(N,N-dimethylaminocarbonyl)phenyl]boronic acid;A825164;[4-(N,N-dimethylaminocarbonyl)phenyl]-boronic acid;J-513791;4-(DIMETHYLAMINO)-CARBONYL-BENZENEBORONIC ACID;4-(N,N-DIMENTHYLAMINOCARBONY)PHENYLNORORNIC ACID;Z1255458076;[4-(dimethylcarbamoyl)phenyl]boronic acid

Suppliers and Price of 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

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
4-(N,N-Dimethylaminocarbonyl)phenylboronicacid
250mg
$ 55.00

TCI Chemical
4-(Dimethylcarbamoyl)phenylboronic Acid (contains varying amounts of Anhydride) >97.0%(T)
5g
$ 200.00

TCI Chemical
4-(Dimethylcarbamoyl)phenylboronic Acid (contains varying amounts of Anhydride) >97.0%(T)
1g
$ 68.00

Synthonix
4-(N,N-Dimethylaminocarbonyl)phenylboronicacid 97%
5g
$ 80.00

SynQuest Laboratories
4-(Dimethylcarbamoyl)benzeneboronic acid 97%
25 g
$ 215.00

SynQuest Laboratories
4-(Dimethylcarbamoyl)benzeneboronic acid 97%
5 g
$ 71.00

SynQuest Laboratories
4-(Dimethylcarbamoyl)benzeneboronic acid 97%
1 g
$ 28.00

Sigma-Aldrich
4-(Dimethylcarbamoyl)phenylboronic acid ≥94%
1g
$ 50.00

Oakwood
4-(N,N-Dimethylaminocarbonyl)phenylboronicacid 98%
1g
$ 20.00

Matrix Scientific
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid 97%
5g
$ 103.00

Total 71 raw suppliers

Chemical Property of 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

Chemical Property:

Vapor Pressure:2.27E-07mmHg at 25°C
Melting Point:130-136 °C
Refractive Index:1.553
Boiling Point:407.4 °C at 760 mmHg
PKA:7.76±0.10(Predicted)
Flash Point:200.2 °C
PSA：60.77000
Density:1.2 g/cm³
LogP:-0.93180
Storage Temp.:Keep Cold
Water Solubility.:Slightly soluble in water.
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:193.0910234
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99%, ^*data from raw suppliers

4-(N,N-Dimethylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O
Uses 4-(Dimethylcarbamoyl)benzeneboronic acid used in coupling reactions and as intermediates. Reactant for preparation of:? ;Selective glucocorticoid receptor agonists1? ;(thienopyridine)carboxamides as checkpoint 1 kinase (CHK1) inhibitors2? ;[(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones as ATP-competitive inhibitors of the mammalian target of rapamycin3? ;Pyrrolopyridines as inhibitors of insulin-like growth factor-1 receptor tyrosine kinase4Reactant for:? ;Copper-mediated N-arylation of quinazolinediones5

Technology Process of 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

There total 2 articles about 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid 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:

: 124-40-3
dimethyl amine

: 332154-57-1
(4-(chlorocarbonyl)phenyl)boronic acid

: 405520-68-5
4-(N,N-dimethylaminocarbonyl)phenylboronic acid

Guidance literature:: dimethyl amine; (4-(chlorocarbonyl)phenyl)boronic acid; In water; for 0.333333h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield:

: 5720-05-8
4-methylphenylboronic acid

: 405520-68-5
4-(N,N-dimethylaminocarbonyl)phenylboronic acid

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide; potassium permanganate / water / 72 h / 20 °C

2: thionyl chloride / Heating / reflux

3: water / 0.33 h / Heating / reflux

With sodium hydroxide; potassium permanganate; thionyl chloride; In water;

Reference yield: 100.0%

: 1403395-95-8
8-({[tert-butyldimethylsilyl]oxy}methyl)-3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine

: 405520-68-5
4-(N,N-dimethylaminocarbonyl)phenylboronic acid

: 1403396-07-5
4'-{1-[8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine-3-yl]cyclopropyl}-N,N-dimethylbiphenyl-4-carboxamide

Guidance literature:: With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In 1,4-dioxane; water; at 140 ℃; for 2h; Microwave irradiation;