tert–Butyl 2，4–dichloro–8，9–dihydro–5H–pyrimido(4，5–d)azepine–7(6H)–carboxylate

cas: 1065114-27-3 — see every product listed under this CAS number, including other names

tert–Butyl 2，4–dichloro–8，9–dihydro–5H–pyrimido(4，5–d)azepine–7(6H)–carboxylate (CAS 1065114-27-3) is a chemical reagent available from Chemat. Available pack sizes: 1g, 250mg. Offered by: GLPBio.

• 2D
• 3D

Tert-butyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate (CAS 1065114-27-3) is a chemical compound with the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. IUPAC name: tert-butyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate. InChIKey: HNTXDMDMFRAXNR-UHFFFAOYSA-N.

Identity

Molecular formula	C13H17Cl2N3O2
Molecular weight	318.20 g/mol
IUPAC name	tert-butyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
InChIKey	HNTXDMDMFRAXNR-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)N1CCC2=C(CC1)N=C(N=C2Cl)Cl

Computed by PubChem (NCBI)

Synonyms: tert-butyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido(4,5-d)azepine-7-carboxylate, tert-butyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate, tert-Butyl 2,4-dichloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate, C13H17Cl2N3O2, 7-Boc-2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine, tert-Butyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido-[4,5-d]azepine-7-carboxylate, tert-Butyl2,4-dichloro-8,9-dihydro-5H-py, tert-Butyl2,4-dichloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate

Isomers (same molecular formula)

tert-butyl 2-(4,6-dichloropyrimidin-2-yl)pyrrolidine-1-carboxylate C₁₃H₁₇Cl₂N₃O₂

2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxylic acid;dihydrochloride C₁₃H₁₇Cl₂N₃O₂

2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxylic acid;dihydrochloride C₁₃H₁₇Cl₂N₃O₂

(2S)-2-amino-3-(3-benzylimidazol-4-yl)propanoic acid;dihydrochloride C₁₃H₁₇Cl₂N₃O₂

tert-butyl 3-(3,6-dichloropyridazin-4-yl)pyrrolidine-1-carboxylate C₁₃H₁₇Cl₂N₃O₂