2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Properties
- Molecular formula
- C15H17Cl2NO4
- Molar mass
- 346.20 g/mol
- Exact mass
- 345.0535 Da
- logP
- 3.98Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
851784-82-2SMILES
CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)ClInChIKey
JXBQRXIJBFUZMR-UHFFFAOYSA-NInChI
InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Similar compounds
2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-756 % similar
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-948 % similar
tert-Butyl 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate916420-27-447 % similar
5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride1289646-93-046 % similar
6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-946 % similar
tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-546 % similar
tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate258515-65-046 % similar
1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds