Cas no 885273-81-4 (5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one)

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one structure
885273-81-4 structure
Product Name:5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
CAS No:885273-81-4
MF:C9H7Cl2NO
MW:216.063980340958
MDL:MFCD04114876
CID:711063
PubChem ID:53408048
Update Time:2023-11-28

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Isoquinolinone,5,7-dichloro-3,4-dihydro-
    • 5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
    • 5,7-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE
    • 5,7-Dichloro-3,4-dihydro-1(2H)-isoquinolinone (ACI)
    • MDL: MFCD04114876
    • Inchi: 1S/C9H7Cl2NO/c10-5-3-7-6(8(11)4-5)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13)
    • InChI Key: OIEJGYJUSCLONB-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=C(C=C(C=2)Cl)Cl)CCN1

Computed Properties

  • Exact Mass: 214.99000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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: 2
  • XLogP3: 2.5

Experimental Properties

  • PSA: 29.10000
  • LogP: 2.60810

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Customs Data

  • HS CODE:2933790090
  • Customs Data:

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-1g
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
1g
5919.34CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-5g
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
5g
23490.77CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-500mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
500mg
3383.69CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-250mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
250mg
2111.63CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-100mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
100mg
1484.07CNY 2021-05-08
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
50R0073-50mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4 96%
50mg
1161.82CNY 2021-05-08
TRC
D445173-10mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4
10mg
$190.00 2023-05-18
TRC
D445173-50mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4
50mg
$873.00 2023-05-18
TRC
D445173-100mg
5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
885273-81-4
100mg
$ 1200.00 2023-09-07
Alichem
A189006875-5g
5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one
885273-81-4 95%
5g
$2150.70 2023-08-31

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Production Method

Production Method 1

Reaction Conditions
1.1 0 °C; 30 min, 25 °C
Reference
Synthesis of Medium-Ring-sized Benzolactams by Using Strong Electrophiles and Quantitative Evaluation of Ring-size Dependency of the Cyclization Reaction Rate
Kurouchi, Hiroaki; Ohwada, Tomohiko, Journal of Organic Chemistry, 2020, 85(2), 876-901

Production Method 2

Reaction Conditions
1.1 Reagents: Trifluoromethanesulfonic acid ;  0 °C; 45 h, 70 °C
Reference
Activation of Electrophilicity of Stable Y-Delocalized Carbamate Cations in Intramolecular Aromatic Substitution Reaction: Evidence for Formation of Diprotonated Carbamates Leading to Generation of Isocyanates
Kurouchi, Hiroaki; Kawamoto, Kyoko; Sugimoto, Hiromichi; Nakamura, Satoshi; Otani, Yuko; et al, Journal of Organic Chemistry, 2012, 77(20), 9313-9328

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Raw materials

5,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one Preparation Products

Recommended suppliers
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd