- New technology to synthesize 4-(N-methyl, N-substituted) aminobenzaldehydeTong, Guo-tong; Yu, Tie-ming; Mao, Wei-chun, Huaxue Shijie, 2009, 50(10), 615-616
Cas no 94-21-3 (3-[(4-formylphenyl)(methyl)amino]propanenitrile)
94-21-3 structure
Product Name:3-[(4-formylphenyl)(methyl)amino]propanenitrile
CAS No:94-21-3
MF:C11H12N2O
MW:188.225782394409
MDL:MFCD00021067
CID:34736
PubChem ID:66744
Update Time:2024-10-25
3-[(4-formylphenyl)(methyl)amino]propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-((4-Formylphenyl)(methyl)amino)propanenitrile
- N-methyl-N-cyanoethyl-4-amino benzaldehyde
- 3-(4-formyl-N-methylanilino)propanenitrile
- 4-[(2-cyanoethyl)methylamino]benzaldehyde
- 3-[(4-Formylphenyl)methylamino]propiononitrile
- 3-[(4-Formylphenyl)methylamino]propanenitrile (ACI)
- Benzaldehyde, p-[(2-cyanoethyl)methylamino]- (6CI, 7CI)
- Propionitrile, 3-(p-formyl-N-methylanilino)- (8CI)
- 4-(N-Methyl-N-(2-cyanoethyl)amino)benzaldehyde
- 4-(N-Methyl-N-(cyanoethyl)amino)benzaldehyde
- 4-Cyanoethylmethylaminobenzaldehyde
- N-Methyl-N-(2-cyanoethyl)-4-aminobenzaldehyde
- 3-[(4-formylphenyl)(methyl)amino]propanenitrile
- MFCD00021067
- 4-((2-Cyanoethyl)methylamino)benzaldehyde
- AKOS000260105
- N-Methyl-N-cyanoethyl-p-amino benzaldehyde
- DB-057481
- CS-0204329
- NCGC00184560-01
- NCGC00184560-02
- NCGC00184560-03
- 94-21-3
- 3-[(4-Formylphenyl)-methylamino]propionitrile
- Z104483558
- NS00041131
- EN300-20845
- Propanenitrile, 3-((4-formylphenyl)methylamino)-
- 3-((4-Formylphenyl)methylamino)propiononitrile
- 4-formyl-N-methyl-N-2-cyanoethylaniline
- N-Methyl-N-cyanoethyl-p-aminobenzaldehyde
- EINECS 202-315-0
- AS-13548
- W-109349
- 3-((4-formylphenyl)(methyl)amino)-propanenitrile
- DTXSID80861691
- 3-[4-Formyl(methyl)anilino]propanenitrile #
- SCHEMBL538121
- Propanenitrile, 3-[(4-formylphenyl)methylamino]-
- GEO-02609
- 4-[N-METHYL-N-(CYANOETHYL)]AMINOBENZALDEHYDE
- 4-[(2-Cyanoethyl)methylamino]benzaldehyde, 98%
-
- MDL: MFCD00021067
- Inchi: 1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3
- InChI Key: DNRTTXXWWAKULZ-UHFFFAOYSA-N
- SMILES: N#CCCN(C)C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 188.09500
- Monoisotopic Mass: 188.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.1A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.2
Experimental Properties
- Color/Form: Pale yellow to orange cast body or powder
- Density: 1.137
- Melting Point: 70-74?°C (lit.)
- Boiling Point: 387.1 °C at 760 mmHg
- Flash Point: 187.9 °C
- Refractive Index: 1.598
- PSA: 44.10000
- LogP: 1.84898
- Solubility: Not determined
3-[(4-formylphenyl)(methyl)amino]propanenitrile Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302-H312-H315-H319-H332-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
- Risk Phrases:R20/21/22; R36/37/38
3-[(4-formylphenyl)(methyl)amino]propanenitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-[(4-formylphenyl)(methyl)amino]propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 523860-25G |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | 25g |
¥1420.43 | 2023-12-05 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C863640-25g |
4-[(2-Cyanoethyl)methylamino]benzaldehyde |
94-21-3 | ≥98% | 25g |
¥801.00 | 2022-09-29 | |
| TRC | C998483-250mg |
4-[(2-Cyanoethyl)methylamino]benzaldehyde |
94-21-3 | 250mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C998483-500mg |
4-[(2-Cyanoethyl)methylamino]benzaldehyde |
94-21-3 | 500mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C998483-2.5g |
4-[(2-Cyanoethyl)methylamino]benzaldehyde |
94-21-3 | 2.5g |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C141479-100g |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | ≥98% | 100g |
¥2769.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C141479-25g |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | ≥98% | 25g |
¥928.90 | 2023-09-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-KA145-1g |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | ≥98% | 1g |
¥139.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-KA145-25g |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | ≥98% | 25g |
¥1294.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-KA145-5g |
3-[(4-formylphenyl)(methyl)amino]propanenitrile |
94-21-3 | ≥98% | 5g |
¥398.0 | 2022-09-28 |
3-[(4-formylphenyl)(methyl)amino]propanenitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Triphosgene Solvents: Ethyl acetate ; 10 - 20 °C; 20 °C → 80 °C; 5 h, 75 - 80 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Thionyl chloride Catalysts: Dimethylformamide Solvents: Cyclohexane ; rt → 20 °C; 0.5 h, 20 °C; 0.5 h, 20 °C
1.2 1 h, 20 °C; 20 °C → 85 °C; 3 - 5 h, 80 - 85 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ; 1 h, pH 3 - 3.5, 10 - 15 °C
1.2 1 h, 20 °C; 20 °C → 85 °C; 3 - 5 h, 80 - 85 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ; 1 h, pH 3 - 3.5, 10 - 15 °C
Reference
- Synthesis of 4-(N-methyl, N-substituted) aminobenzaldehyde by improvement Vilsmeier reactionTong, Guo-tong; Yu, Tie-ming, Huaxue Yanjiu Yu Yingyong, 2007, 19(8), 946-948
Production Method 3
Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: 1-Butyl-3-methylimidazolium tetrafluoroborate Solvents: 1-Butyl-3-methylimidazolium tetrafluoroborate ; 10 - 20 °C; 6 h, 90 - 100 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
Reference
- Synthesis of N-substituted aminobenzaldehydes, China, , ,
Production Method 4
Production Method 5
Reaction Conditions
Reference
- Chemistry of bis(2-cyanoethyl) derivatives of some aromatic amines. V. Preparation of some new tertiary aminobenzaldehydes and a study of some of their reactionsJolly, V. S.; Ittyerah, P. I., Journal of the Indian Chemical Society, 1969, 46(11), 997-1002
Production Method 6
3-[(4-formylphenyl)(methyl)amino]propanenitrile Raw materials
3-[(4-formylphenyl)(methyl)amino]propanenitrile Preparation Products
3-[(4-formylphenyl)(methyl)amino]propanenitrile Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
94-21-3 (3-[(4-formylphenyl)(methyl)amino]propanenitrile) Related Products
- 1079-83-0(4-[butyl(methyl)amino]benzaldehyde)
- 613-28-5(4-(Dipropylamino)benzaldehyde)
- 90134-10-4(4-(Dibutylamino)benzaldehyde)
- 17354-79-9(Propanenitrile,3,3'-[(4-formylphenyl)imino]bis-)
- 111462-11-4(Benzaldehyde, 4,4'-[1,4-butanediylbis(butylimino)]bis-)
- 64693-47-6(4-[ethyl(methyl)amino]benzaldehyde)
- 27914-15-4(4-(N-Ethyl-2-cyanoethylamino)benzaldehyde)
- 119-97-1(3-ethyl(4-formyl-3-methylphenyl)aminopropanenitrile)
- 78575-81-2(Benzaldehyde, 4,4'-[1,3-propanediylbis(methylimino)]bis-)
- 117846-67-0(Benzaldehyde, 4-(methyloctadecylamino)-)
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