ChemicalBook > CAS DataBase List > 5-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

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
Ark Pharm
Product number
P000257993
Product name
tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Purity
97+%
Packaging
250mg
Price
$14
Updated
2021/12/16
Ark Pharm
Product number
P000257993
Product name
tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Purity
97+%
Packaging
1g
Price
$33
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
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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

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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