Cas no 78887-39-5 ((3-acetamidophenyl)boronic acid)

(3-acetamidophenyl)boronic acid structure
78887-39-5 structure
Product Name:(3-acetamidophenyl)boronic acid
CAS No:78887-39-5
MF:C8H10BNO3
MW:178.980902194977
MDL:MFCD00236013
CID:60038
PubChem ID:157274
Update Time:2024-10-27

(3-acetamidophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Acetamidophenylboronic acid
    • (3-Acetylaminophenyl)boronic acid
    • 3-Acetamidophenylboronic Acid (contains varying amounts of Anhydride)
    • (3-acetamidophenyl)boronic acid
    • 3-Acetamidobenzeneboronic acid
    • 3-Acetylaminophenylboronic acid
    • 3-Acetamidobenzeneboronic Acid (contains varying amounts of Anhydride)
    • 3-acetylaminophenyl boronic acid
    • m-acetamidophenylboronic acid
    • Boronic acid, (3-(acetylamino)phenyl)-
    • 3-(acetylamino)phenylboronic acid
    • N-[3-(Dihydroxyboranyl)Phenyl]Acetamide
    • Boronic acid, [3-(acetylamino)phenyl]-
    • [3-(acetylamino)phenyl]boronic acid
    • (3-(acetylamino)phenyl)boronic acid
    • 3-Acetamidophenylboronicacid
    • P
    • 3-(acetamido)phenylboronic acid
    • DTXSID1074678
    • MFCD00236013
    • FT-0601783
    • 78887-39-5
    • 3-acetamino-phenyl boronic acid
    • STR07962
    • BCP03527
    • 3-acetamidophenyl boronic acid
    • EN300-316448
    • 1,6-Anhydro-2-azido-2-deoxy-
    • AM20050338
    • 3-acet-amidophenylboronic acid
    • IBTSWKLSEOGJGJ-UHFFFAOYSA-N
    • 3-(acetylamino) phenylboronic acid
    • 3-ACETAMIDOBENZENE BORONIC ACID
    • J-501344
    • CS-D0989
    • AB05328
    • (3-acetamidophenyl) boronic acid
    • 3-acetamidophenyl-boronic acid
    • Boronic acid, B-[3-(acetylamino)phenyl]-
    • SY023416
    • J-511502
    • 3-acetaminophenyl boronic acid
    • A9885
    • 3-acetamidophenyl- boronic acid
    • 3-acetamido phenyl boronic acid
    • 3-acetamidophenylboronic acid;3-Acetamidobenzeneboronic acid
    • 3-acetylamino-phenylboronic acid
    • 3-(N-acetylamino)phenylboronic acid
    • SCHEMBL8930
    • BP-20139
    • AKOS006223915
    • 3-acetamido-phenyl boronic acid
    • Z1203161678
    • A-D-glucopyranose
    • B-[3-(Acetylamino)phenyl]boronic acid (ACI)
    • Benzeneboronic acid, m-acetamido- (6CI)
    • Boronic acid, [3-(acetylamino)phenyl]- (9CI)
    • 3-Acetanilideboronic acid
    • 3-N-Acetylaminophenylboronic acid
    • N-Acetyl-3-aminobenzeneboronic acid
    • 3-Acetamidophenylboronic acid,97%
    • DB-010521
    • A2453
    • MDL： MFCD00236013
    • Inchi： 1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
    • InChI Key： IBTSWKLSEOGJGJ-UHFFFAOYSA-N
    • SMILES： O=C(C)NC1C=C(B(O)O)C=CC=1
    • BRN： 3278316

Computed Properties

  • Exact Mass: 179.07500
  • Monoisotopic Mass: 179.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 69.6

Experimental Properties

  • Color/Form: Powder.
  • Density: 1.2300
  • Melting Point: 140°C(lit.)
  • Refractive Index: 1.553
  • PSA: 69.56000
  • LogP: -0.60220
  • Solubility: Not determined

(3-acetamidophenyl)boronic acid Security Information

(3-acetamidophenyl)boronic acid Customs Data

  • HS CODE：29310095
  • 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%

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(3-acetamidophenyl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Acetic acid ;  24 h, rt
Reference
Synthetic studies connected with the preparation of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide, a zaleplon regioisomer
Radl, Stanislav; Blahovcova, Michaela; Tkadlecova, Marcela; Havlicek, Jaroslav, Heterocycles, 2010, 80(2), 1359-1379

Production Method 2

Reaction Conditions
1.1 Reagents: Diboronic acid Solvents: Methanol ;  3 h, 15 °C
1.2 Reagents: Sodium bicarbonate
1.3 Reagents: Fructose Solvents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 3
Reference
Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts
Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V., Journal of the American Chemical Society, 2016, 138(9), 2985-2988

Production Method 3

Reaction Conditions
1.1 Solvents: Acetonitrile-d3 ,  Water-d2 ;  24 h, rt
Reference
Fast and Tight Boronate Formation for Click Bioorthogonal Conjugation
Akgun, Burcin; Hall, Dennis G., Angewandte Chemie, 2016, 55(12), 3909-3913

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  0 °C; 0 °C → rt; 3 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 8, rt
Reference
Structure-Reactivity Relationships in Boronic Acid-Diol Complexation
Brooks, William L. A.; Deng, Christopher C.; Sumerlin, Brent S., ACS Omega, 2018, 3(12), 17863-17870

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(3-acetamidophenyl)boronic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:78887-39-5)3-乙酰胺基苯硼酸
Order Number:LE2470767
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:39
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:78887-39-5)3-Acetamidophenylboronic acid
Order Number:sfd17026
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

(3-acetamidophenyl)boronic acid Related Literature

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Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:78887-39-5)3-乙酰胺基苯硼酸
LE2470767
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:78887-39-5)3-Acetamidophenylboronic acid
sfd17026
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email