Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-다이메틸아미노피리딘
N,N-디메틸피리딘-4-아민 · 4-다이메틸아미노피리딘 · 4-디메틸아미노피리딘 · N,N-디메틸-4-피리딘아민 · 4-다이메틸아미노피리딘(4-DIMETHYLAMINOPYRIDINE) · DMAP · N,N-Dimethylpyridin-4-amine · N,N-Dimethyl-4-aminopyridine
식별자 및 물리적 특성
| CAS No. | 1122-58-3 |
|---|---|
| 분자식 | C7H10N2 |
| 평균 분자량 | 122.17 g/mol |
| 단동위원소 질량 | 122.08439833 g/mol |
| SMILES | CN(C)c1ccncc1 |
| InChIKey | VHYFNPMBLIVWCW-UHFFFAOYSA-N |
| PubChem CID | 14284 |
| ChEMBL | CHEMBL3561645 |
| ChEBI | CHEBI:182593 |
| EC No. | 214-353-5 |
| DTXSID | DTXSID0044369 |
| 현지명 | 4-다이메틸아미노피리딘 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 16.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 75 |
| 증기압 | 1.0 [mmHg]0.169 hPa at 20 °C |
| Physical Description | Large CrystalsColorless solid[Merck Index] Beige crystalline solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 120.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID0044369]120.5 Ų [M+H]+ [CCS Type: DTIonization: ESI+ |
| 녹는점 | 112 °C |
| 끓는 점 | 162 °C |
| 밀도 | 0.906 g/mL at 25 °C |
| 굴절률 | n20/D 1.431 |
| 인화점 | 110 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 메탄올: 50mg/mL, 투명 |
| 물리적 상태 | 세분화된 |
| pKa(산도 계수) | pKa (20°): 9.7 |
| 색상 | 황백색에서 노란색까지 |
| pH | 11 (60g/l, H2O, 20℃) |
| 냄새 | 특유의 냄새 |
| 용해도 | 76g/L(25℃) |
| Merck | 14,3389 |
| BRN | 110354 |
| 안정성 | 안정적인. 산, 산화제와 호환되지 않습니다. |
| InChI | 1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3 |
| InChIKey | VHYFNPMBLIVWCW-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccncc1 |
| LogP(분배 계수) | 1.34 at 25℃ |
| NIST | 4-Pyridinamine, N,N-dimethyl-(1122-58-3) |
| EPA | 4-(Dimethylamino)pyridine (1122-58-3) |
화학적 성질
White solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.1% (6 of 522) of reports.DangerH301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral]H310 (70.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (59.4%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (32.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (49.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (36%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (37.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H370 (17%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]H411 (36%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 522 reports by companies from 53 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 6 of 522 reports by companies.There are 52 notifications provided by 516 of 522 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 4-Pyridinamine, N,N-dimethyl-4-Pyridinamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17217Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/255384-(Dimethylamino) pyridine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritantToxic by ingestionHighly toxic by skin absorption[Sigma-Aldrich MSDS] See 4-Aminopyridine. |
| Hazard Classes and Categories | Acute Tox. 3 (98.9%)Acute Tox. 2 (70.3%)Skin Corr. 1 (32.2%)Skin Irrit. 2 (59.4%)Eye Dam. 1 (32.8%)Eye Irrit. 2 (49.4%)Acute Tox. 3 (36%)STOT SE 3 (37.9%)STOT SE 1 (17%)Aquatic Chronic 2 (36%) |
| CSL Reaction Information | CSL002042-Methoxyprop-2-yl Hydroperoxide + Dicyclohexylcarbodiimide + 4-(Dimethylamino)pyridine + Dichloromethane + Cesium hydroxide + Dimethylformamide"We would like to draw attention to a potential hazard associated with a procedure reported from our laboratories, "2-Methoxyprop-2-yl Hydroperoxide: A Convenient Reagent for the Synthesis of Hydroperoxides and Peracids," P. H. Dussault and A. Sahli [J. Org. Chem., 57, 1009 (1992). DOI: 10.1021/jo00029a043]. The procedure, which calls for room-temperature concentration of the ozonolysis-derived reagent before redissolution in an appropriate solvent, has been performed uneventfully on numerous occasions. Recently, however, several concentrated samples were observed to undergo rapid exothermic decomposition. In one case, an open vial containing a 2-g sample emitted a pillar of flame several feet high. We are currently investigating alternative procedures, including concentration of the reagent at 0 C. Extreme caution, including the rigorous use of safety shields, is warranted. The reagent should not be stored, but should be generated only as needed. Dilute solutions of excess reagent can be safely quenched with dimethyl sulfide, triphenylphosphine, or aqueous sodium sulfite." (reprint of full text)Flammable,PyrophoricNot Available10.1021/cen-v071n032.p002 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | US8400000 |
| 운송 번호(UN) | UN 2811 6.1/PG 2 |
| 독성 | LD50 orally in Rabbit: 140 mg/kg LD50 dermal Rabbit 90 mg/kg |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 25-34-24/25-36/37/38-27-36-24-20-61-40-23/24/25-67-66-21/22-11-36/37-22-19 |
| 위험 표시 | T,C,T+,Xn,F |
| 안전 문구(S) | 36/37/39-45-28A-26-28-36/37-53-27-22-16 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 2 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 1 |
| 기존화학 물질 | KE-11197 |
| 위험 참고 사항 | Toxic/Corrosive |
| 자연 발화 온도 | 420 °C |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
그것은 유기 합성에서 보편적 인 초 친핵 성의 아 실화 촉매 다.
용도
DMAP은 염기성 때문에 무수물과의 에스테르 화, Baylis-Hillman 반응, 하이드로 실릴 화, 트리 틸 레이션, Steglich 재 배열, 베타 - 락탐의 Staudinger 합성 및 기타 여러 가지 반응에 유용한 친 핵성 촉매입니다. 키랄성 DMAP 유사체는 주로 2 급 알콜 및 에반스 보조 유형 아미드의 동 역학적 분석 실험에 사용된다.
용도
4-Dimethylaminopyridine (Valaciclovir EP Impurity G; Valacyclovir USP Related Compound G) is a highly efficient catalyst for acylation reactions.
일반 설명
Valacyclovir Related Compound G, also called as 4-(Dimethylamino)pyridine (DMAP) is an excellent catalyst for acylation of hindered alcohols and in chemical transformations. It is highly nucleophilic in nature.