CAS 848821-58-9 (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether (HCID 11198150)

Names & identifiers

Preferred name: (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
IUPAC: [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
English name: (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinyl methyltms ether
Molecular formula: C20H27NOSi
Molecular weight: 325.52

Names & synonyms

(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol trimethylsilyl etherRefChem:407704628-584-8848821-58-9(S)-2-(Diphenyl((trimethylsilyl)oxy)methyl)pyrrolidine(2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethyl-silaneMFCD08690083[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilaneC20H27NOSi(S)-(-)-[(Diphenyl)trimethylsiloxymethyl]pyrrolidinePyrrolidine, 2-[diphenyl[(trimethylsilyl)oxy]methyl]-, (2S)-

Show more names

S-Diphenylprolinol trimethyl silyl ether(2s)-2-[diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine(S)-Diphenylprolinol Trimethyl Silyl Ether,99%e.e.(S)-(-)-α,α-Diphenyl-2-pyrrolidoneMethanoe triMethylsilys ether(S)-(–)-α,α-DiphenyL(S)-Hayashi-Jorgensen CatalystJorgenson-Hayashi organocatalyst[(DIPHENYL)TRIMETHYLSILOXYMETHYL]PYRROLIDINE

RSUHWMSTWSSNOW-IBGZPJMESA-NSCHEMBL2574515DTXSID50458512CS-B0740AKOS015840590s25143AS-10194FD139746

Database identifiers

CAS: 848821-58-9
PubChem CID: 11198150
DTXSID: DTXSID50458512
EC Number: 628-584-8
Nikkaji: J2.212.714D

Properties

Computed structural properties

Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 348

Physicochemical properties

Boiling point: 412.7 · 412.7±35.0 °C(Predicted)
Density: 1.0459 g/mL · 1.0459 g/mL at 25 °C
refractive index: 20 · n20/D 1.5513
Flash point: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
pka: 10.01 · 10.01±0.10(Predicted)
form: liquid
color: Yellow
optical activity: 22 · [α]22/D -50°, c = 1 in chloroform
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
λmax: 193 nm · 193nm(lit.)
InChI: InChI=1S/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKey: RSUHWMSTWSSNOW-IBGZPJMESA-N
SMILES: N1CCC[C@H]1C(C1=CC=CC=C1)(C1=CC=CC=C1)O[Si](C)(C)C
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn,F
Risk Statements: 36 · 36/37/38-67-65-48/20-38-11-63
Safety Statements: 26 · 26-62-36/37-16
RIDADR: 1294 · UN1294 - class 3 - PG 2 - Toluene, solution
WGK Germany: 3 · 3
TSCA: No
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: No
ridadr: UN1294 - class 3 - PG 2 - Toluene, solution
hs_code: 29339900
risk_code: 36/37/38-67-65-48/20-38-11-63
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn,F
safety_code: 26-62-36/37-16
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesOrganocatalyst for 3-component reactions, and Robinson annulation of α,β-unsaturated aldehydes.

Upstream & downstream products

Upstream raw materials

Pyrrolidine, 1-(3-methyl-1-buten-1-yl)-Ethylcyano(pentafluorophenyl)acetate Pyrrolidine, 2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (2S)-1-Pyrrolidinecarboxylic acid, 2-(hydroxydiphenylmethyl)-,1,1-dimethylethyl ester, (2R)-4-Methoxyphenylmagnesium bromide N-(Trimethylsilyl)imidazole Trimethylsilyl trifluoromethanesulfonate Chlorotrimethylsilane (R)-(+)-a,a-Diphenyl-2-pyrrolidinemethanol Dichloromethane

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

133 records

New reaction record

HRID 523175As reactantuspto-grants-2016_05

HRID 1518746As reactantuspto-grants-2015_07

HRID 1812440As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812451As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812462As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812473As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812484As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812495As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

Compound notes

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Basic information