Cas no 668261-27-6 (tert-Butyl 2-amino-5-iodobenzoate)

Technical Introduction: tert-Butyl 2-amino-5-iodobenzoate is a versatile intermediate in organic synthesis, particularly valued for its iodine substituent and protected carboxylate group. The tert-butyl ester moiety enhances stability, facilitating handling and storage under standard conditions. The amino and iodo functional groups offer reactive sites for further derivatization, making it useful in cross-coupling reactions, such as Suzuki or Sonogashira couplings, as well as in the synthesis of pharmaceuticals and agrochemicals. Its well-defined structure ensures consistent reactivity, while the iodine atom provides a handle for metal-catalyzed transformations. This compound is particularly advantageous in medicinal chemistry for constructing complex aromatic frameworks with precision.
tert-Butyl 2-amino-5-iodobenzoate structure
668261-27-6 structure
Product Name:tert-Butyl 2-amino-5-iodobenzoate
CAS No:668261-27-6
MF:C11H14INO2
MW:319.138835430145
MDL:MFCD11112880
CID:1030703
PubChem ID:44828910
Update Time:2025-06-09

tert-Butyl 2-amino-5-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-amino-5-iodobenzoate
    • LogP
    • A835555
    • SCHEMBL6351877
    • AKOS012412636
    • CS-0145328
    • 668261-27-6
    • tert-Butyl2-amino-5-iodobenzoate
    • SB82715
    • EN300-941323
    • FT-0656372
    • DTXSID10660997
    • tert-butyl 2-amino-5-iodo-benzoate
    • QNUOGGUIWUBLJN-UHFFFAOYSA-N
    • DB-073798
    • MDL： MFCD11112880
    • Inchi： 1S/C11H14INO2/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6H,13H2,1-3H3
    • InChI Key： QNUOGGUIWUBLJN-UHFFFAOYSA-N
    • SMILES： IC1C=CC(=C(C=1)C(=O)OC(C)(C)C)N

Computed Properties

  • Exact Mass: 319.00652
  • Monoisotopic Mass: 319.00693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 237
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32

tert-Butyl 2-amino-5-iodobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019097575-5g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95%
5g
 $475.08 2023-09-01
Alichem
A019097575-10g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95%
10g
 $700.35 2023-09-01
Alichem
A019097575-25g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95%
25g
 $1110.78 2023-09-01
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1215968-1g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95+%
1g
 ￥15089.00 2024-05-04
Crysdot LLC
CD12044783-5g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95+%
5g
 $412 2024-07-24
Crysdot LLC
CD12044783-10g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95+%
10g
 $619 2024-07-24
Crysdot LLC
CD12044783-25g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95+%
25g
 $1016 2024-07-24
Ambeed
A359700-1g
tert-Butyl 2-amino-5-iodobenzoate
 668261-27-6 95+%
1g
 $181.0 2025-04-17
Enamine
EN300-941323-1g
tert-butyl 2-amino-5-iodobenzoate
 668261-27-6
1g
 $541.0 2023-09-01
Enamine
EN300-941323-5g
tert-butyl 2-amino-5-iodobenzoate
 668261-27-6
5g
 $1572.0 2023-09-01

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