5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Name: 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No.: 215184-78-4
Chemical Name: 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Synonyms: tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate;2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline;N-Boc-5-BroMo-1,2,3,4-Tetrahydroisoquinoline;N-BOC-1,2,3,4-tetrahydro-5-bromo-isoquinoline;tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H);t-butyl-5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate;5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;2(1H)-Isoquinolinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
CBNumber: CB11502203
Molecular Formula: C14H18BrNO2
Formula Weight: 312.2
MOL File: 215184-78-4.mol

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5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Property

Boiling point:: 382.4±42.0 °C(Predicted)
Density: 1.353±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: -1.56±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9H2,1-3H3
InChIKey: YSAAGRAKROVFRY-UHFFFAOYSA-N
SMILES: C1C2=C(C(Br)=CC=C2)CCN1C(OC(C)(C)C)=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC

Product number: B683395
Product name: 5-Bromo-3,4-dihydro-1H-isoquinoline-2-carboxylicAcidtert-ButylEster
Packaging: 5g
Price: $415
Updated: 2021/12/16

AK Scientific

Product number: J94916
Product name: tert-Butyl5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Packaging: 1g
Price: $40
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB44087
Product name: tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Packaging: 500mg
Price: $60
Updated: 2021/12/16

Matrix Scientific

Product number: 073819
Product name: tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Purity: 95+%
Packaging: 10g
Price: $469
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0351164
Product name: TERT-BUTYL-5-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Purity: 95.00%
Packaging: 5MG
Price: $505.33
Updated: 2021/12/16

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5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production

Uses

5-Bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic Acid tert-Butyl Ester is an intermediate used to prepare 4,1-benzoxazepines as somatostatin agonists.

Synthesis

24424-99-5

1258856-73-3

215184-78-4

The reaction mixture was prepared from 5-bromo-1,2,3,4-tetrahydroisoquinoline hydrobromide (2.24 g, 9.0 mmol, Zannan Pharma), di-tert-butyl dicarbonate (3.1 mL, 14 mmol), and triethylamine (2.8 mL, 20 mmol), which was solubilized in THF (40 mL), and the reaction mixture was stirred for 1 hour at room temperature. After completion of the reaction, the solvent was removed by vacuum concentration. Water (15 mL) was added to the residue, followed by extraction with ethyl acetate (2 x 15 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated again in vacuum to afford 1,1-dimethylethyl-5-bromo-3,4-dihydro-2(1H)-isoquinoline carboxylate (2.79 g, 99% yield) as an off-white solid. The obtained product could be used directly in the subsequent reaction without further purification.LCMS analysis (formate method, 5 min): retention time 3.60 min, molecular ion peak MH+ = 312/314.

References

[1] Patent: WO2010/146105, 2010, A1. Location in patent: Page/Page column 86

5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

China 95 India 3 Switzerland 1 United Kingdom 1 United States 7 Global 107

ITIC MEDCHEM(SUZHOU) CO.,LTD.

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EnliPharma Technology Co., Ltd

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View Lastest Price from 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers

Zhuozhou Wenxi import and Export Co., Ltd

Product: 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 215184-78-4
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-10

Zhuozhou Wenxi import and Export Co., Ltd

Product: 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 215184-78-4
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-09

Career Henan Chemical Co

Product: 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER 215184-78-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2019-12-31

215184-78-4, 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTERRelated Search:

2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID TERT-BUTYL 6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE TERT-BUTYL 8-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE 6-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER TERT-BUTYL 5-HYDROXY-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE TERT-BUTYL 8-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE 5-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER TERT-BUTYL 3-BROMOBENZYLCARBAMATE TERT-BUTYL 2-BROMOPHENETHYLCARBAMATE (3-BROMO-BENZYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER

5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

N-Boc-5-BroMo-1,2,3,4-Tetrahydroisoquinoline

2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinoline

tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)

N-BOC-1,2,3,4-tetrahydro-5-bromo-isoquinoline

tert-butyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

2(1H)-Isoquinolinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester

tert-butyl 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

t-butyl-5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

215184-78-4