7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
- Product Name
- 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
- CAS No.
- 42923-79-5
- Chemical Name
- 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
- Synonyms
- N90100;1,2,3,4-tetrahydro-7-nitroisoquinoline;7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-;1,2,3,4-Tetrahydro-7-nitroisoquinoline 98%;7-Nitro-1,2,3,4-tetrahydro-isoquinoline ,97%
- CBNumber
- CB3377730
- Molecular Formula
- C9H10N2O2
- Formula Weight
- 178.19
- MOL File
- 42923-79-5.mol
7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Property
- Boiling point:
- 319.6±42.0 °C(Predicted)
- Density
- 1.236±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- pka
- 8.49±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
- InChIKey
- YPRWYZSUBZXORL-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=CC([N+]([O-])=O)=C2)CCN1
Safety
- HS Code
- 2933499090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H225Highly Flammable liquid and vapour
H290May be corrosive to metals
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P234Keep only in original container.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P363Wash contaminated clothing before reuse.
P370+P378In case of fire: Use … for extinction.
P390Absorb spillage to prevent material damage.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P406Store in corrosive resistant/… container with a resistant inner liner.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- N900675
- Product name
- 7-Nitro-1,2,3,4-tetrahydroisoquinoline
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- W6247
- Product name
- 7-Nitro-1,2,3,4-tetrahydro-isoquinoline
- Packaging
- 1g
- Price
- $104
- Updated
- 2021/12/16
- Product number
- CS-D0150
- Product name
- 7-Nitro-1,2,3,4-tetrahydroisoquinoline
- Packaging
- 5g
- Price
- $158
- Updated
- 2021/12/16
- Product number
- CS-D0150
- Product name
- 7-Nitro-1,2,3,4-tetrahydroisoquinoline
- Packaging
- 10g
- Price
- $271
- Updated
- 2021/12/16
- Product number
- OR300086
- Product name
- 1,2,3,4-Tetrahydro-7-nitroisoquinoline
- Purity
- 98%
- Packaging
- 5g
- Price
- $290
- Updated
- 2021/12/16
7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Chemical Properties,Usage,Production
Synthesis
91-21-4
42923-79-5
In a mortar, 2 g of P2O5/silica gel (65% w/w) was mixed with 1,2,3,4-tetrahydroisoquinoline (10 mmol, 1.33 g) and milled for 30 s. Subsequently, 5 ml of 65% HNO3 was added slowly dropwise, and milling was continued for 20 min at room temperature until the mixture took on a deep yellow color. The progress of the reaction was monitored by TLC (n-hexane:EtOAc 70:30) to confirm the complete disappearance of 1,2,3,4-tetrahydroisoquinoline (about 30 min). After completion of the reaction, ether (50 ml) was added to the mixture and the solids were separated by filtration through a short silica gel pad and washed with ether (2 x 15 ml). The combined organic phases were washed with 10% NaHCO3 solution (20 ml) and subsequently dried with MgSO4. The solvent was removed by concentration under reduced pressure and the residue was purified by column chromatography (n-hexane:EtOAc, 2:1) to afford 7-nitro-1,2,3,4-tetrahydroisoquinoline (2b) (8 mmol, 1.4 g, 80% yield) as a yellow solid with a melting point of 121 °C. 1H NMR (δ): 8.05 (m, 2H), 7.60 (m, 1H), 3.82 (s, 2H), 3.38 (t, 2H, J = 7.4 Hz), 3.12 (t, 2H, J = 7.4 Hz), 2.83 (s, 1H).13C NMR (δ): 150.6, 145.0, 140.3, 129.6, 122.6, 121.4, 46.9, 44.1, 28.1.High-resolution mass spectra (EMS) [M+H]+ C9H10N2O2, calculated value 179.0740, measured value 179.1121.
References
[1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 24, p. 7435 - 7440
[2] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 329 - 331
[3] Journal of Medicinal Chemistry, 2003, vol. 46, # 5, p. 831 - 837
[4] Patent: WO2004/60902, 2004, A2. Location in patent: Page/Page column 15
[5] Patent: US9138427, 2015, B2. Location in patent: Page/Page column 307
7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE manufacturers
- Product
- 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE 42923-79-5
- Price
- US $8.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10tons
- Release date
- 2018-12-24