ChemicalBook > CAS DataBase List > 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Product Name
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CAS No.
851784-82-2
Chemical Name
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Synonyms
5,7-Dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester;LifitegrastImpurity40;Lifitegrast intermediate;-(Tert-Butoxycarbonyl-5,7-Dichloro-1,2,3,4-T..;2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoqu...;2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid;N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2,6(1H)-Isoquinolinedicarboxylic acid, 5,7-dichloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester;5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CBNumber
CB42995940
Molecular Formula
C15H17Cl2NO4
Formula Weight
346.21
MOL File
851784-82-2.mol
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2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Property

Boiling point:
468.5±45.0 °C(Predicted)
Density 
1.379±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Sparingly, Sonicated), Methanol (Slightly)
pka
1.87±0.20(Predicted)
form 
Solid
color 
White to Off-White
InChI
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)
InChIKey
JXBQRXIJBFUZMR-UHFFFAOYSA-N
SMILES
C1C2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CCN1C(OC(C)(C)C)=O
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Safety

HS Code 
2933499090
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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

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

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

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N-Bromosuccinimide Price

Ark Pharm
Product number
P000220492
Product name
2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Purity
98%
Packaging
1g
Price
$51
Updated
2021/12/16
Apolloscientific
Product number
OR961743
Product name
2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacid
Purity
98%
Packaging
1g
Price
$61
Updated
2021/12/16
AK Scientific
Product number
3355DF
Product name
2-(Tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacid
Packaging
1g
Price
$114
Updated
2021/12/16
Ark Pharm
Product number
P000220492
Product name
2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Purity
98%
Packaging
5g
Price
$153
Updated
2021/12/16
Apolloscientific
Product number
OR961743
Product name
2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacid
Purity
98%
Packaging
5g
Price
$155
Updated
2021/12/16
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2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Chemical Properties,Usage,Production

Description

2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid is a carboxylic acid derivative of tetrahydroisoquinoline with a Boc group and two chlorine atoms attached to the tetrahydroisoquinoline ring. It may exhibit various biological activities, such as anticancer, anti-inflammatory, and anticonvulsant properties, depending on the nature and position of the substituents.

Uses

2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid is a reagent in the preparation of N-benzofuranylcarbonyl dichlorotetrahydroisoquinolinylcarbonylmethylsulfonyl L-phenylalanine as LFA-1 inhibitor and polymorph thereof for the treatment of LFA -1 mediated diseases.

Synthesis


Boc-protection was used for the ring nitrogen in the intermediates 21 and 22.Compound 5 was deprotected with HC1 in dioxane to produce compound 23 in better than 97%yield. Boc-protection was introduced, using di-tert-butyl dicarbonate (1 .1 equivalent), and compound 21 was obtained in better than 95% yield. Compound 10 was coupled with compound 21 to obtain compound 22, using HATU and triethylamine in DMF. The product, compound 22, was obtained in quantitative yield, and greater than 90% purity. Deprotection with HC1 yielded the compound of Formula 12 in 97.4% yield.

2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Suppliers

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View Lastest Price from 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 851784-82-2
Price
US $0.10/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000 tons
Release date
2020-04-24
PharmOrgSyn Laboratories Co., Ltd.
Product
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 851784-82-2
Price
US $2850.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
1ton
Release date
2023-11-03
Shijiazhuang tongyang Import and Export Co., LTD
Product
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 851784-82-2
Price
US $26.00/KG
Min. Order
1g
Purity
99.9%
Supply Ability
500000kgs
Release date
2021-08-11

851784-82-2, 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acidRelated Search:

Tetryzoline Tetrahydropyran 5,6,7,8-TETRAHYDROISOQUINOLINE Tetrahydrofurfuryl alcohol 5,7-dichloro-3,4-dihydro-2,6(1H)-Isoquinolinedicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester 5,7-Dichloro-1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid Hydrochloride

  • 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
  • 5,7-Dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester
  • 2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid
  • Lifitegrast intermediate
  • N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
  • 2,6(1H)-Isoquinolinedicarboxylic acid, 5,7-dichloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester
  • -(Tert-Butoxycarbonyl-5,7-Dichloro-1,2,3,4-T..
  • 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
  • 2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoqu...
  • 5,7-Dichloro-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-6-isoquinolinecarboxylic acid
  • LifitegrastImpurity40
  • 851784-82-2
  • 1194550-65-5
  • C15H17Cl2NO4
  • 851784-82-2