Cas no 850589-41-2 (3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid)

3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid is a boronic acid derivative commonly employed as a key intermediate in Suzuki-Miyaura cross-coupling reactions, a pivotal method for forming carbon-carbon bonds in organic synthesis. The presence of both the boronic acid group and the chloro-substituted aromatic ring enhances its reactivity and selectivity in coupling reactions, making it valuable for constructing complex molecular architectures. The N-isopropylcarbamoyl moiety further modulates steric and electronic properties, improving stability and solubility in organic solvents. This compound is particularly useful in pharmaceutical and agrochemical research, where precise functionalization of aromatic systems is required. Its well-defined structure ensures consistent performance in catalytic transformations.
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid structure
850589-41-2 structure
Product Name:3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
CAS No:850589-41-2
MF:C10H13BClNO3
MW:241.479121923447
MDL:MFCD31008806
CID:719780
PubChem ID:44119644
Update Time:2025-05-28

3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Chloro-4-(isopropylcarbamoyl)phenyl)boronic acid
    • (3-Chloro-4-(isopropylcarbamoyl)-phenyl)boronic acid
    • [3-chloro-4-(propan-2-ylcarbamoyl)phenyl]boronic acid
    • 3-Chloro-4-(N-isopropylcarbamoyl)benzeneboronic acid
    • 3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
    • Boronic acid,B-[3-chloro-4-[(propylamino)carbonyl]phenyl]-
    • 3-chloro-4-(isopropylcarbamoyl)phenylboronic acid
    • BS-24211
    • AKOS015848914
    • DTXSID70657348
    • SCHEMBL4047592
    • AB30729
    • DB-388860
    • 3-Chloro-4-(N-isopropylcarbamoyl)phenylboronicacid
    • {3-Chloro-4-[(propan-2-yl)carbamoyl]phenyl}boronic acid
    • 3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid (contains varying amounts of Anhydride)
    • 850589-41-2
    • MFCD07363768
    • 3-CHLORO-4-(ISOPROPYLCARBAMOYL)BENZENEBORONIC ACID
    • CS-0197863
    • B-[3-Chloro-4-[(propylamino)carbonyl]phenyl]boronic acid
    • 1034102-06-1
    • E90050
    • MDL： MFCD31008806
    • Inchi： 1S/C10H13BClNO3/c1-6(2)13-10(14)8-4-3-7(11(15)16)5-9(8)12/h3-6,15-16H,1-2H3,(H,13,14)
    • InChI Key： PYRWTKHEGQSOAR-UHFFFAOYSA-N
    • SMILES： ClC1C=C(B(O)O)C=CC=1C(NC(C)C)=O

Computed Properties

  • Exact Mass: 241.06800
  • Monoisotopic Mass: 241.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 69.6A^2

Experimental Properties

  • Density: 1.27g/cm3
  • Melting Point: 184-190
  • Refractive Index: 1.551
  • PSA: 69.56000
  • LogP: 0.54890

3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid Security Information

  • Hazard Statement： Irritant/Keep Cold
  • Hazardous Material Identification： Xi
  • Storage Condition：Keep cold

3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid Customs Data

  • HS CODE：2931900090
  • Customs Data：

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Matrix Scientific
092108-250mg
(3-Chloro-4-(isopropylcarbamoyl)-phenyl)boronic acid, 95+%
 850589-41-2 95+%
250mg
 $189.00 2023-09-10
Matrix Scientific
092108-1g
(3-Chloro-4-(isopropylcarbamoyl)-phenyl)boronic acid, 95+%
 850589-41-2 95+%
1g
 $420.00 2023-09-10
Matrix Scientific
092108-5g
(3-Chloro-4-(isopropylcarbamoyl)-phenyl)boronic acid, 95+%
 850589-41-2 95+%
5g
 $1340.00 2023-09-10
Fluorochem
215669-1g
3-Chloro-4-(isopropylcarbamoyl)phenyl)boronic acid
 850589-41-2 95%
1g
 ￡150.00 2022-03-01
Fluorochem
215669-5g
3-Chloro-4-(isopropylcarbamoyl)phenyl)boronic acid
 850589-41-2 95%
5g
 ￡450.00 2022-03-01
ChemScence
CS-0178399-1g
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
 850589-41-2
1g
 $174.0 2022-04-26
ChemScence
CS-0178399-5g
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
 850589-41-2
5g
 $522.0 2022-04-26
TRC
C367368-100mg
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
 850589-41-2
100mg
 $ 64.00 2023-04-18
TRC
C367368-250mg
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
 850589-41-2
250mg
 $ 121.00 2023-04-18
TRC
C367368-500mg
3-Chloro-4-(N-isopropylcarbamoyl)phenylboronic acid
 850589-41-2
500mg
 $ 184.00 2023-04-18

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