3-Methylisoquinoline
- CAS No.
- 1125-80-0
- Chemical Name:
- 3-Methylisoquinoline
- Synonyms
- 3-METHYLISOQUINOLINE;3-methyl-isoquinolin;ISOQUINOLINE, 3-METHYL-;3-(Bromomethyl)isoquinoline;3-Methylisoquinoline in isooctane;3-METHYLISOQUINOLINE ISO 9001：2015 REACH
- CBNumber:
- CB7289615
- Molecular Formula:
- C10H9N
- Molecular Weight:
- 143.19
- MDL Number:
- MFCD00024139
- MOL File:
- 1125-80-0.mol
- MSDS File:
- SDS
| Melting point | 63-65 °C(lit.) |
|---|---|
| Boiling point | 251 °C(lit.) |
| Density | 1.0584 (estimate) |
| refractive index | 1.6152 (estimate) |
| pka | 5.66±0.30(Predicted) |
| Water Solubility | 919mg/L(20 ºC) |
| CAS DataBase Reference | 1125-80-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 4QUO6NYB5J |
| NIST Chemistry Reference | Isoquinoline, 3-methyl-(1125-80-0) |
| EPA Substance Registry System | Isoquinoline, 3-methyl- (1125-80-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | NX2000000 |
| HS Code | 29334900 |
3-Methylisoquinoline price More Price(18)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 129895 | 3-Methylisoquinoline 98% | 1125-80-0 | 1g | $26.32 | 2024-03-01 | Buy |
| TRC | M321963 | 3-Methylisoquinoline | 1125-80-0 | 500mg | $90 | 2021-12-16 | Buy |
| Matrix Scientific | 074749 | 3-Methylisoquinoline 95+% | 1125-80-0 | 1g | $93 | 2021-12-16 | Buy |
| AK Scientific | X9017 | 3-methylisoquinoline | 1125-80-0 | 1g | $104 | 2021-12-16 | Buy |
| SynQuest Laboratories | 3H32-1-KT | 3-Methylisoquinoline 98% | 1125-80-0 | 10g | $552 | 2021-12-16 | Buy |
3-Methylisoquinoline Chemical Properties,Uses,Production
Description
The metabolites of 3-methylisoquinoline were separated by adsorption and reversed-phase high-performance liquid chromatography (HPLC).
Uses
3-Methylisoquinoline was used to prepare 3-aminoisoquinoline.
Definition
ChEBI: 3-methylisoquinoline is an isoquinoline substituted by a methyl group at position 3. It has a role as a bacterial xenobiotic metabolite.
Preparation
Benzylamine (9.18 mL, 84.0 mmol) and 1,1-dimethoxypropan-2-one (9.95 mL, 84.0 mmol) were added to dichloromethane (350 mL) at room temperature. Sodium triacetoxyborohydride (25 g, 118 mmol) was added to the reaction mixture in one portion. The reaction was stirred at room temperature overnight. The reaction mixture was then diluted with 2.5% sodium bicarbonate (250 mL) and mixed for 30 minutes, becoming biphasic. The organic layer was discarded. The aqueous layer was basified to pH 14 using concentrated sodium hydroxide. The basified aqueous solution was washed three times with ethyl acetate and the organic layers were kept and combined. Then, the resulting solution was washed with 5% sodium chloride solution three times. The organic layers were combined and dried over sodium sulfate. The resulting solution was evaporated to a yellow oil, which was found to be N-benzyl-1,1-dimethoxypropan-2-one. The oil (2.62 g, 12.5 mmol) was added dropwise to chlorosulfonic acid (8.35 mL, 125 mmol) over ice. A few milliliters of dichloromethane was used to rinse the oil from its reaction flask and the oil dissolved in dichloromethane was also added to the chlorosulfonic acid flask over ice. The reaction mixture was placed over boiling water for 5 minutes with a condenser to evaporate the solvent used to rinse the N-benzyl-1,1-dimethoxypropan-2-one out of its previous flask while not letting any water vapor enter the flask before the reaction mixture was fully heated. Then, the reaction mixture was placed in the boiling water for 10 minutes without a condenser to allow methanol, a side-product of the reaction, to evaporate out of the flask and drive the reaction forward. After cooling, the reaction mixture was quenched with ice and then basified to pH 14 with concentrated sodium hydroxide. The mixture was washed with dichloromethane three times. The organic layers were combined and dried using magnesium sulfate. The resulting solution was evaporated to solid 3-methylisoquinoline (average percent yield: 2-5%) and the structure was confirmed with GC-MS and NMR.
Synthesis Reference(s)
Tetrahedron Letters, 26, p. 3959, 1985 DOI: 10.1016/S0040-4039(00)98697-0
Chemical and Pharmaceutical Bulletin, 35, p. 4964, 1987 DOI: 10.1248/cpb.35.4964
3-Methylisoquinoline Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | info@dakenam.com | China | 18949 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29871 | 58 |
| Shenzhen Nexconn Pharmatechs Ltd | +86-755-89396905 +86-15013857715 | admin@nexconn.com | China | 10311 | 58 |
| Hubei xin bonus chemical co. LTD | 86-13657291602 | linda@hubeijusheng.com | CHINA | 22963 | 58 |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | sales@chemdad.com | China | 39894 | 58 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49476 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
| Dideu Industries Group Limited | +86-29-89586680 +86-15129568250 | 1026@dideu.com | China | 22787 | 58 |
| Alfa Chemistry | info@alfa-chemistry.com | United States | 2344 | 58 |
View Lastest Price from 3-Methylisoquinoline manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2022-03-23 | 3-METHYLISOQUINOLINE
1125-80-0
|
US $1.10 / g | 1g | 99.00% | 100 Tons | Dideu Industries Group Limited | |
 |
2019-07-06 | 3-METHYLISOQUINOLINE
1125-80-0
|
US $8.00 / KG | 1KG | 99% | 10tons | Career Henan Chemical Co |
-
- 3-METHYLISOQUINOLINE
1125-80-0
- US $1.10 / g
- 99.00%
- Dideu Industries Group Limited
-
- 3-METHYLISOQUINOLINE
1125-80-0
- US $8.00 / KG
- 99%
- Career Henan Chemical Co
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