4-(Pyrrolidine-1-carbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(Pyrrolidine-1-carbonyl)phenylboronic acid
• CAS No.: 389621-81-2
• Molecular Formula: C11H14BNO3
• Molecular Weight: 219.048
• Hs Code.: 2933990090
• European Community (EC) Number: 688-410-1
• DSSTox Substance ID: DTXSID70378561
• Wikidata: Q72505113
• Mol file: 389621-81-2.mol

Synonyms:389621-81-2;4-(Pyrrolidine-1-carbonyl)phenylboronic acid;(4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid;4-Pyrrolidinylcarbonylphenylboronic acid;[4-(pyrrolidine-1-carbonyl)phenyl]boronic Acid;4-[(PYRROLIDIN-1-YL)CARBONYL]BENZENEBORONIC ACID;[4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid;BORONIC ACID, [4-(1-PYRROLIDINYLCARBONYL)PHENYL]-;(4-BORONOPHENYL)(PYRROLIDIN-1-YL)METHANONE;SCHEMBL204078;DTXSID70378561;VKPBESPVHGDDJS-UHFFFAOYSA-N;MFCD03411950;AKOS015855864;1-(4-BORONOBENZOYL)PYRROLIDINE;AB14317;PS-9532;4-(pyrrolidine-1-carbonyl)phenyboronic acid;4(pyrrolidin-1-ylcarbonyl)phenylboronic acid;4-pyrrolidine-1-carbonyl phenyl boronic acid;CS-0175316;FT-0644568;P2105;4-(pyrrolidin-1-ylcarbonyl)phenylboronic acid;[4-(1-pyrrolidinylcarbonyl)phenyl]boronic acid;4-(Pyrrolidine-1-carbonyl)-phenyl boronic acid;4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid;A22900;H11700;4-[(1-Pyrrolidinyl)carbonyl]benzeneboronic Acid;[4-[(Pyrrolidin-1-yl)carbonyl]phenyl]boronic acid;J-513859;4-(pyrrolidine-1-carbonyl)phenylboronic acid, AldrichCPR;4-(pyrrolidine-1-carbonyl)phenylboronic acid;[4-(Pyrrolidine-1-carbonyl)phenyl]boronic acid

Chemical Property of 4-(Pyrrolidine-1-carbonyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 9E-09mmHg at 25°C
• Melting Point: 136-140 °C
• Refractive Index: 1.586
• Boiling Point: 446.949 °C at 760 mmHg
• PKA: 8.18±0.16(Predicted)
• Flash Point: 224.107 °C
• PSA: 60.77000
• Density: 1.26 g/cm³
• LogP: -0.45970
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.1066735
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98% ^*data from raw suppliers

4-(pyrrolidine-1-carbonyl)phenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)N2CCCC2)(O)O

Technology Process of 4-(Pyrrolidine-1-carbonyl)phenylboronic acid

There total 1 articles about 4-(Pyrrolidine-1-carbonyl)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: 27.0%

4-carboxamidopyrrolidinophenyl-aniline (56302-41-1) + tetrahydroxydiboron (13675-18-8) → [4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid (389621-81-2)

Guidance literature:

4-carboxamidopyrrolidinophenyl-aniline; With hydrogenchloride; In water; at 20 ℃; for 0.0166667h;

With sodium nitrite; In water; at 0 ℃; for 0.25h;

tetrahydroxydiboron; With sodium acetate; In water; at 20 ℃; for 0.333333h;

DOI:10.1021/jo501665e

Reference yield: 92.0%

[4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid (389621-81-2) + (R)-2-(1-Benzylpyrrolidin-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl trifluoromethanesulfonate (1131347-88-0) → 2-[(3R)-1-benzylpyrrolidin-3-yl]-6-[4-(pyrrolidin-1-ylcarbonyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one (1131347-65-3)

Guidance literature:

Reference yield: 91.0%

[4-(pyrrolidin-1-ylcarbonyl)phenyl]boronic acid (389621-81-2) + 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 (1403395-95-8) → 8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-methyl-3-{1-[4'-(pyrrolidin-1-ylcarbonyl)biphenyl-4-yl]cyclopropyl}-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepine (1403396-14-4)

Guidance literature:

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

upstream raw materials:

4-carboxamidopyrrolidinophenyl-aniline

tetrahydroxydiboron

Downstream raw materials:

(1E,4E)-ethyl-2-(tert-butoxycarbonylamino)-8-[4-(pyrrolidine-1-carbonyl)-phenyl]-3H-benzo[b]azepine-4-carboxylate

4'-(pyrrolidine-1-carbonyl)-biphenyl-3-carboxylic acid [5-(3-ethoxy-5-trifluoromethyl-pyrazol-1-yl)-pyridin-2-yl]-amide

2-[(3R)-1-benzylpyrrolidin-3-yl]-6-[4-(pyrrolidin-1-ylcarbonyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one

(tert-butoxy)-N-{4-(N,N-dipropylcarbamoyl)-8-[4-(pyrrolidinylcarbonyl)phenyl](3H-benzo[f]azepin-2-yl)}carboxamide

Refernces