4-(Morpholine-4-carbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(Morpholine-4-carbonyl)phenylboronic acid
• CAS No.: 389621-84-5
• Molecular Formula: C11H14BNO4
• Molecular Weight: 235.047
• Hs Code.: 2934999090
• European Community (EC) Number: 688-281-1
• DSSTox Substance ID: DTXSID50378544
• Wikidata: Q82168029
• Mol file: 389621-84-5.mol

Synonyms:389621-84-5;4-(Morpholine-4-carbonyl)phenylboronic acid;(4-(Morpholine-4-carbonyl)phenyl)boronic acid;[4-(morpholine-4-carbonyl)phenyl]boronic Acid;4-(Morpholinocarbonyl)phenyl boronic acid;4-(Morpholine-4-carbonyl)phebylboronic acid;4-(Morpholinocarbonyl)benzeneboronic Acid;4-(Morpholin-4-ylcarbonyl)benzeneboronic acid;BORONIC ACID, [4-(4-MORPHOLINYLCARBONYL)PHENYL]-;SCHEMBL109091;DTXSID50378544;KMNLIQJXZPBCDU-UHFFFAOYSA-N;AB1076;MFCD03411952;AKOS015855865;AB14322;AM86930;AS-2463;NCGC00249543-01;NCGC00249543-02;4-Morpholine-4-carbonylphenylboronic acid;CS-0170920;FT-0644569;(4-(Morpholine-4-carbonyl)phenyl)boronicacid;[4-(4-morpholinylcarbonyl)phenyl]boronic acid;A824353;J-513782;4-(morpholine-4-carbonyl)phenylboronic acid, AldrichCPR;4-[(MORPHOLIN-4-YL)CARBONYL]BENZENEBORONIC ACID

Chemical Property of 4-(Morpholine-4-carbonyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 4.38E-10mmHg at 25°C
• Melting Point: 126-132°C
• Refractive Index: 1.582
• Boiling Point: 481.6 °C at 760 mmHg
• PKA: 8.29±0.16(Predicted)
• Flash Point: 245.1 °C
• PSA: 70.00000
• Density: 1.3g/cm³
• LogP: -1.22330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.1015881
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

4-(Morpholinocarbonyl)benzeneboronicAcid ^*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)N2CCOCC2)(O)O
• Uses: 4-(Morpholinocarbonyl)benzeneboronic Acid, is a building block used for the synthesis of various pharmaceutical and biologically active compounds. It is used for the synthesis of a series of arylphthalazine derivatives as potent, and orally bioavailable inhibitors of VEGFR-2.

Technology Process of 4-(Morpholine-4-carbonyl)phenylboronic acid

There total 5 articles about 4-(Morpholine-4-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: 41.0%

→ 4-(morpholine-4-carbonyl)phenylboronic acid (389621-84-5)

Guidance literature:

Reference yield:

morpholine (110-91-8,99108-56-2) + (4-(chlorocarbonyl)phenyl)boronic acid (332154-57-1) → 4-(morpholine-4-carbonyl)phenylboronic acid (389621-84-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

Reference yield:

4-(4-Iodobenzoyl)morpholine (79271-22-0) → 4-(morpholine-4-carbonyl)phenylboronic acid (389621-84-5)

Guidance literature:

4-(4-Iodobenzoyl)morpholine; With Bis<2-(N,N-dimethylamino)aethyl>aether; isopropylmagnesium chloride; In tetrahydrofuran; at 15 ℃;

With Trimethyl borate; In tetrahydrofuran; for 0.666667h;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

4-(4-Iodobenzoyl)morpholine

N-(4-chlorobenzoyl)morpholine

morpholine

(4-(chlorocarbonyl)phenyl)boronic acid

Downstream raw materials:

methyl 3-amino-6-bromo-2-(4-(morpholine-4-carbonyl)phenyl)-isonicotinate