1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-
- Product Name
- 1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-
- CAS No.
- 151004-96-5
- Chemical Name
- 1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-
- Synonyms
- (R)-2-Boc-3,4-dihydro-1H-isoquinoline-1-carboxylic acid;N-Boc-(R)-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid;(R)-2-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic Acid;2-(tert-Butyl) (1R)-3,4-dihydro-1,2(1H)-isoquinolinedicarboxylate;2-(1,1-Dimethylethyl) (1R)-3,4-dihydro-1,2(1H)-isoquinolinedicarboxylate;(R) -2- (tert-butoxycarbonyl) -1,2,3,4-tetrahydro-isoquinoline-carboxylic acid;(1R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;(1R)-2-[(2-METHYLPROPAN-2-YL)OXYCARBONYL]-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID;1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)-;1,2(1H)-Isoquinolinedi carboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (1R)-，97%min
- CBNumber
- CB72638765
- Molecular Formula
- C15H19NO4
- Formula Weight
- 277.32
- MOL File
- 151004-96-5.mol
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)- Property
- storage temp.
- 2-8°C
- Appearance
- white powder
- InChI
- InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-8-10-6-4-5-7-11(10)12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
- InChIKey
- KMTRFKAFNRHBCH-GFCCVEGCSA-N
- SMILES
- [C@H]1(C(O)=O)C2=C(C=CC=C2)CCN1C(OC(C)(C)C)=O
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 8963AH
- Product name
- (R)-2-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid
- Packaging
- 1g
- Price
- $551
- Updated
- 2021/12/16
- Product number
- 132376
- Product name
- (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $900
- Updated
- 2021/12/16
- Product number
- 132376
- Product name
- (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $1764
- Updated
- 2021/12/16
- Product number
- 50R0266
- Product name
- R-(-)-2-Boc-3,4-dihydro-1H-isoquinoline-1-carboxylicacid
- Purity
- 96%
- Packaging
- 100mg
- Price
- $149
- Updated
- 2021/12/16
- Product number
- O34274
- Product name
- (R)-2-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid
- Purity
- 95%
- Packaging
- 1G
- Price
- $335
- Updated
- 2021/12/16
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester, (1R)- Chemical Properties,Usage,Production
Synthesis
24424-99-5
151004-93-2
151004-96-5
The general procedure for the synthesis of (R)-2-N-Boc-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid from di-tert-butyl dicarbonate and (R)-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid is as follows: Example 8 Preparation of (1R)-2-[(tert-butyl)oxycarbonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (Compound 4A): 1. (R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (80 g, 0.45 mol) was dissolved in 845 mL of tetrahydrofuran (THF), mixed with sodium carbonate (191.5 g, 1.8 mol) dissolved in 845 mL of water, and the mixture was cooled to 0 °C. 2. Di-tert-butyl dicarbonate (108 g, 0.5 mol) dissolved in 280 mL of tetrahydrofuran was slowly added dropwise to the above solution at 0 °C. 3. After the dropwise addition was completed, the reaction system was stirred at 0 °C overnight. 4. After completion of the reaction, the reaction mixture was extracted with ethyl acetate (EA). The organic layers were combined, washed with saturated sodium chloride solution and dried over anhydrous sodium sulfate. 5. The solvent was removed by depressurized evaporation to give a dry residue. 6. The residue was purified by silica gel column chromatography using petroleum ether/ethyl acetate (1:1, v/v) as eluent to afford a white solid product, compound 4A (106 g, 85% yield).
References
[1] Patent: US2016/272636, 2016, A1. Location in patent: Paragraph 0065; 0066; 0067
[2] Collection of Czechoslovak Chemical Communications, 1988, vol. 53, # 11A, p. 2549 - 2573
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