Tert-butyl-4-bromoisoindoline-2-carboxylate

• CAS: 1035235-27-8
• Catalog Number: ACM1035235278
• Category: Bromine Series
• Molecular Weight: 298.175640 [g/mol]
• Molecular Formula: C13H16BrNO2
• Synonyms: tert-butyl 4-bromoisoindoline-2-carboxylate, 1035235-27-8, N-BOC-4-BROMOISOINDOLINE, TERT-BUTYL-4-BROMOISOINDOLINE-2-CARBOXYLATE, PubChem24148, SureCN3578620, CTK8C0000, ANW-63834, SC4211, WTI-11460, AKOS015902217, MB08979, AK-68482, KB-61431, AM20020120, I14-13777, TERT-BUTYL 4-BROMO-1,3-DIHYDRO-2H-ISOINDOLE-2-CARBOXYLATE
• IUPAC Name: tert-butyl 4-bromo-1,3-dihydroisoindole-2-carboxylate
• InChI Key: BFCZVUVSPUKWET-UHFFFAOYSA-N
• Boiling Point: 363.218ºC at 760 mmHg
• Flash Point: 173.469ºC
• Density: 1.4 g/cm³
• Exact Mass: 297.03600
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of tert-butyl-4-bromoisoindoline-2-carboxylate?

The molecular formula is C13H16BrNO2.

What are the synonyms for tert-butyl-4-bromoisoindoline-2-carboxylate?

The synonyms are tert-butyl 4-bromoisoindoline-2-carboxylate, 1035235-27-8, TERT-BUTYL-4-BROMOISOINDOLINE-2-CARBOXYLATE, N-BOC-4-BROMOISOINDOLINE, and TERT-BUTYL 4-BROMO-1,3-DIHYDROISOINDOLE-2-CARBOXYLATE.

What is the molecular weight of tert-butyl-4-bromoisoindoline-2-carboxylate?

The molecular weight is 298.18 g/mol.

When was tert-butyl-4-bromoisoindoline-2-carboxylate created?

It was created on February 14, 2011.

When was tert-butyl-4-bromoisoindoline-2-carboxylate last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of tert-butyl-4-bromoisoindoline-2-carboxylate?

The IUPAC name is tert-butyl 4-bromo-1,3-dihydroisoindole-2-carboxylate.

What is the InChI of tert-butyl-4-bromoisoindoline-2-carboxylate?

The InChI is InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-9-5-4-6-11(14)10(9)8-15/h4-6H,7-8H2,1-3H3.

What is the InChIKey of tert-butyl-4-bromoisoindoline-2-carboxylate?

The InChIKey is BFCZVUVSPUKWET-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl-4-bromoisoindoline-2-carboxylate?

The canonical SMILES is CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)Br.

What is the CAS number of tert-butyl-4-bromoisoindoline-2-carboxylate?

The CAS number is 1035235-27-8.

Synthetic Use

Upstream Synthesis Route 1

• 923590-95-8
• 24424-99-5

• 1035235-27-8

Reference: [1] Patent: WO2017/158388, 2017, A1, . Location in patent: Page/Page column 55; 214

Upstream Synthesis Route 2

• 24424-99-5

• 1035235-27-8

Reference: [1] Patent: WO2016/65236, 2016, A1, . Location in patent: Page/Page column 118

Upstream Synthesis Route 3

• 127168-81-4
• 24424-99-5

• 1035235-27-8

Reference: [1] Patent: US2008/171754, 2008, A1, . Location in patent: Page/Page column 104

Upstream Synthesis Route 4

• 127168-81-4
• 24424-99-5

• 1035235-27-8

Reference: [1]Patent: US2008/171754,2008,A1 .Location in patent: Page/Page column 104

Downstream Synthesis Route 1

• 1035235-27-8
• 73183-34-3

• 1035235-28-9

Reference: [1]Patent: WO2017/158388,2017,A1 .Location in patent: Page/Page column 55; 214

* For details of the synthesis route, please refer to the original source to ensure accuracy.