3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine supplier

Name
3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine
EINECS 1533716-785-6
CAS No. 134002-25-8
Article Data17
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point 114-118 °C
Formula C₁₈H₂₀N₂O
Boiling Point 488.5 °C at 760 mmHg
Molecular Weight 280.37
Flash Point 249.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyrrolidineacetamide,a,a-diphenyl-, (S)-;(S)-3-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine;(S)-3-(Carbamoyldiphenylmethyl)pyrrolidine;
PSA 170.18000
LogP 0.97400

Synthetic route

: 133099-11-3
(S)-2,2-diphenyl-2-(pyrrolidin-3-yl)-acetonitrile

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
With sulfuric acid In water at 85 - 90℃; for 14h;	100%
With sulfuric acid at 85 - 90℃; for 12h;	76%
Stage #1: (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)-acetonitrile With water; sulfuric acid at 90℃; for 24h; Stage #2: With sodium hydroxide In water pH=12;	58%

: 3-(R,S)-(1-carbamoyl-1,1-diphenyl-methyl)pyrrolidine

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
Stage #1: 3-(R,S)-(1-carbamoyl-1,1-diphenyl-methyl)pyrrolidine With tartaric acid In ethanol for 10 - 20h; Stage #2: In methanol at 70℃; for 15h;	58%

: (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)-acetamide L-tartrate

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water	58%
With sodium hydroxide; water In dichloromethane pH=12;
With sodium hydroxide In water; ethyl acetate Product distribution / selectivity;
With sodium hydroxide In water at 25 - 60℃; for 0.333333h; pH=12 - 14; Product distribution / selectivity;
With sodium hydroxide In water; toluene pH=12; Product distribution / selectivity;

: 3-(S)-(+)-(1-cyano-1,1-diphenylmethyl)pyrrolidine hydrobromide

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water at 25 - 30℃; for 0.0833333h;

: 40499-83-0, 83220-72-8, 100243-39-8, 2799-21-5
(3R)-pyrrolidinol

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
With sulfuric acid; sodium hydroxide In dichloromethane; water at 50 - 105℃; pH=10 - 12;

: 1189753-52-3
(S)-2,2-diphenyl-2-[1-(tert-butyloxycarbonyl)-3-pyrrolidinyl]acetonitrile

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
Stage #1: (S)-2,2-diphenyl-2-[1-(tert-butyloxycarbonyl)-3-pyrrolidinyl]acetonitrile With sulfuric acid at 110℃; Stage #2: With sodium hydroxide In water at 30℃; pH=10 - 12;
Multi-step reaction with 2 steps 1: hydrogenchloride / methanol / 7 h / 20 - 30 °C 2: sulfuric acid / 12 h / 85 - 90 °C View Scheme

: 133099-09-9
(S)-diphenyl-[1-(toluene-4-sulfonyl)-pyrrolidin-3-yl]-acetonitrile

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogen bromide / water; phenol / 4 h / Heating / reflux 2.1: sulfuric acid / 10 h / 95 - 100 °C 2.2: 25 - 30 °C View Scheme

: 86-29-3
Diphenylacetonitrile

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: potassium hydroxide / N,N-dimethyl-formamide / 2 h 1.2: 5 h / 95 - 100 °C 2.1: hydrogen bromide / water; phenol / 4 h / Heating / reflux 3.1: sulfuric acid / 10 h / 95 - 100 °C 3.2: 25 - 30 °C View Scheme

: C2H2O4*C18H18N2

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / 0.25 h / 50 - 60 °C / pH 12 2.1: sulfuric acid / 10 h / 95 - 100 °C 2.2: 25 - 30 °C View Scheme

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 954-81-4
N-(5-bromopentyl)phthalimide

: 864766-81-4
2-{(S)-1-[5-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)pentyl]pyrrolidin-3-yl}-2,2-diphenylacetamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 55℃; for 8h;	100%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 50-00-0
formaldehyd

: 1050646-81-5
2-((S)-1-methylpyrrolidin-3-yl)-2,2-diphenylacetamide

Conditions

Conditions	Yield
With hydrogen In methanol; water	96.4%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 148315-77-9
8,8-dimethoxyoctanal

: 808757-08-6
2-[(S)-1-(8-Oxooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 8,8-dimethoxyoctanal In dichloromethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 14h;	93%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 808757-04-2
8-(N-Benzyl-N-methylamino)octan-1-ol

: 808757-06-4
2-[(S)-1-(8-N-benzyl-N-methylaminooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 8-(N-Benzyl-N-methylamino)octan-1-ol With N-ethyl-N,N-diisopropylamine In acetonitrile at 45 - 50℃; for 20h; Stage #2: With acetic anhydride In acetonitrile	90%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 808757-07-5
toluenesulfonic acid 8-(N-benzyl-N-methylamino)octan-1-yl ester

: 808757-06-4
2-[(S)-1-(8-N-benzyl-N-methylaminooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; toluenesulfonic acid 8-(N-benzyl-N-methylamino)octan-1-yl ester With N-ethyl-N,N-diisopropylamine In acetonitrile at 45 - 50℃; for 20h; Stage #2: With acetic anhydride In acetonitrile at 20℃; for 2h; Stage #3: With ammonium hydroxide In water pH=12;	90%

: 127264-14-6
2,3-dihydro-5-(2-bromoethyl)benzofuran

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 133099-07-7
(S)-darifenacin hydrobromide

Conditions

Conditions	Yield
Stage #1: 2,3-dihydro-5-(2-bromoethyl)benzofuran; 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide With potassium hydroxide; triethylmethylammonium chloride In water; butanone at 75℃; for 6h; Heating / reflux; Stage #2: With hydrogen bromide In water; butanone	84.92%
Stage #1: 2,3-dihydro-5-(2-bromoethyl)benzofuran; 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide With potassium carbonate In acetonitrile at 70 - 75℃; for 2h; Stage #2: With hydrogen bromide In water; acetone at 0 - 25℃; Product distribution / selectivity;
With potassium carbonate In acetonitrile

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 29329-03-1
5-hexynal

: 690998-86-8
(S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(hex-5-yn-1-yl)pyrrolidine

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 5-hexynal With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 20℃; for 8h; Stage #2: With hydrogenchloride In dichloromethane at 20℃; for 1h;	83%
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 20℃; for 8h;	83%
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 5-hexynal With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 20℃; Stage #2: With hydrogenchloride In dichloromethane; water at 20℃; for 1h; Stage #3: With sodium hydroxide In dichloromethane; water pH=5;	83%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 87-69-4
tartaric acid

: (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)-acetamide L-tartrate

Conditions

Conditions	Yield
In ethanol for 1h;	80%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 1056998-28-7
toluene-4-sulfonic acid 8-(N-tert-butoxycarbonyl-N-methylamino)octyl ester

: 2-{(S)-1-[8-(N-tert-butoxycarbonyl-N-methylamino)octyl]-pyrrolidin-3-yl}-2,2-diphenylacetamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 60 - 65℃; for 5 - 7h;	77%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 8-(N-Benzyl-N-methylamino)octanal

: 808757-06-4
2-[(S)-1-(8-N-benzyl-N-methylaminooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 8-(N-Benzyl-N-methylamino)octanal In dichloromethane at 0℃; for 0.166667h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 0 - 20℃; for 4h;	75%
With sodium tris(acetoxy)borohydride In dichloromethane at 0 - 20℃; for 4h;	75%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 60090-77-9
7,7-dimethoxyheptanal

: 690999-17-8
(S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7,7-dimethoxyhept-1-yl)pyrrolidine

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 7,7-dimethoxyheptanal In dichloromethane at 0 - 5℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 5 - 20℃; for 6.5h; Stage #3: With potassium carbonate In dichloromethane; water at 20℃; for 1h;	72%
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 7,7-dimethoxyheptanal In dichloromethane at 0 - 5℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 0 - 5℃; for 6.5h; Product distribution / selectivity;	72%
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 7,7-dimethoxyheptanal In dichloromethane at 0 - 5℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 5 - 20℃; for 6.5h;

: 943034-50-2
2-(2,3-dihydrobenzofuran-5-yl)ethylchloride

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 133099-07-7
(S)-darifenacin hydrobromide

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide With sodium hydroxide; water In ethyl acetate at 25 - 35℃; for 0.25h; Stage #2: 2-(2,3-dihydrobenzofuran-5-yl)ethylchloride With triethylamine at 95℃; for 15h; Stage #3: With hydrogen bromide In water; acetone for 1h; Product distribution / selectivity;	70%
Stage #1: 2-(2,3-dihydrobenzofuran-5-yl)ethylchloride; 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide With potassium carbonate In water at 101 - 103℃; for 2 - 5h; Stage #2: With hydrogen bromide In water; butan-1-ol Product distribution / selectivity;

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 86864-60-0
2-(tert-butyldimethylsilyloxy)ethyl bromide

: (S)-2-(1-(2-((tert-butyldimethylsilyl)oxy)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 16h; Inert atmosphere;	70%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 55362-80-6
9-bromononan-1-ol

: 2-[(S)-1-(9-hydroxynonyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20 - 50℃; for 24h;	62%
With triethylamine In acetonitrile at 50℃;	62%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 690999-02-1
4-[N-(7-bromo-4-oxahept-1-yl)-N-(isopropyl)amino]-1-benzylpiperidine

: 108-10-1
4-methyl-2-pentanone

: 4-{N-[7-(3-(S)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)-4-oxahept-1-yl]-N-(isopropyl)amino}-1-benzylpiperidine

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In DMF (N,N-dimethyl-formamide) at 110℃; for 21h;	56%

...Expand

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 10160-24-4
7-bromoheptyl alcohol

: 690998-84-6
(S)-3-(1-carbamoyl-1,1-diphenylmethyl)-1-(7-hydroxyhept-1-yl)pyrrolidine

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 40 - 50℃; for 9h;	56%
With triethylamine In acetonitrile at 40 - 50℃; for 9h;	56%
With triethylamine In acetonitrile at 40 - 50℃; for 9h;	56%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 690999-02-1
4-[N-(7-bromo-4-oxahept-1-yl)-N-(isopropyl)amino]-1-benzylpiperidine

: 4-{N-[7-(3-(S)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)-4-oxahept-1-yl]-N-(isopropyl)amino}-1-benzylpiperidine

Conditions

Conditions	Yield
With sodium carbonate; potassium iodide In DMF (N,N-dimethyl-formamide); 4-methyl-2-pentanone at 110℃; for 21h;	56%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 50816-19-8
8-bromooctanol

: 2-[(S)-1-(8-Hydroxyoctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 40 - 55℃; for 16h;	44%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 690999-08-7
4-[N-(7-bromo-3-oxahept-1-yl)-N-(isopropyl)amino]-1-benzylpiperidine

: 4-{N-[7-(3-(S)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)-3-oxahept-1-yl]-N-(isopropyl)amino}-1-benzylpiperidine

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 24h; Heating / reflux;	32%
With triethylamine In acetonitrile for 24h; Heating / reflux;	32%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 1382621-66-0
4-[N-(7-bromo-5-oxahept-1-yl)-N-(isopropyl)amino]-1-benzylpiperidine

: 690999-10-1
4-{N-[7-(3-(S)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)-5-oxahept-1-yl]-N-(isopropyl)amino}-1-benzylpiperidine

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 24h; Heating / reflux;	29%
With triethylamine In acetonitrile for 24h; Heating / reflux;	29%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 87-69-4
L-Tartaric acid

: (S)-2,2-diphenyl-2-(pyrrolidin-3-yl)-acetamide L-tartrate

Conditions

Conditions	Yield
In ethanol for 2.16667h; Heating; Reflux;	16.95%
In ethanol for 10 - 20h;
In ethanol
In toluene at 25 - 60℃; for 12.75h;
In water at 50 - 60℃;

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 4549-32-0
1,8-dibromooctane

: 2-[(S)-1-(8-bromoooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); acetone at 40℃; for 5h;	15%

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 2-[(S)-1-(3-{4-[2-(Benzylmethylamino)-ethyl]phenyl}propyl)pyrrolidin-3-yl]-2,2-diphenylacetamide

Conditions

Conditions	Yield
Stage #1: 3-{4-[2-(Benzylmethylamino)ethyl]phenyl}propionitrile With diisobutylaluminium hydride In dichloromethane; toluene at -78℃; for 3h; Stage #2: With methanol In dichloromethane; toluene for 0.166667h; Stage #3: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide With hydrogenchloride; sodium hydroxide; sodium tris(acetoxy)borohydride more than 3 stages;	10%

: 127264-14-6
2,3-dihydro-5-(2-bromoethyl)benzofuran

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 133099-04-4
darifenacin

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 2h; Heating / reflux;	9%
With potassium phosphate In water; toluene at 20 - 90℃; for 3.5h; Product distribution / selectivity;
With potassium carbonate In water; toluene at 20 - 90℃; for 3.5h; Product distribution / selectivity;
With potassium phosphate In cyclohexane; water at 20 - 90℃; for 3.5h; Product distribution / selectivity;
With potassium hydroxide In acetonitrile at 40 - 50℃; for 18h; Product distribution / selectivity;

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 4549-32-0
1,8-dibromooctane

: 76-05-1
trifluoroacetic acid

: 2-[(S)-1-(8-dimethylaminooctyl)pyrrolidin-3-yl]-2,2-diphenylacetamide bis(trifluoroacetate) salt

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 1,8-dibromooctane; dimethyl amine In chloroform at 50℃; for 60h; Stage #2: trifluoroacetic acid

...Expand

: 134002-25-8
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide

: 148315-77-9
8,8-dimethoxyoctanal

: C28H40N2O3

Conditions

Conditions	Yield
Stage #1: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide; 8,8-dimethoxyoctanal In dichloromethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 14h; Stage #3: With sodium hydrogencarbonate In dichloromethane; water for 0.5h;

3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine Specification

The systematic name of 3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine is 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide. With the CAS registry number 134002-25-8, it is also named as (S)-alpha,alphal-Diphenyl-3-pyrrolidineacetamide. The product's categories are Pharmaceutical Material and Intermeidates; APIs Intermediate; Benzenes. In addition, its molecular formula is C₁₈H₂₀N₂O and molecular weight is 280.36.

The other characteristics of 3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.12 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 83.12 cm³; (13)Molar Volume: 244.3 cm³; (14)Polarizability: 32.95×10^-24cm³; (15)Surface Tension: 48.3 dyne/cm; (16)Density: 1.147 g/cm³; (17)Flash Point: 249.2 °C; (18)Melting point: 114-118 °C; (19)Enthalpy of Vaporization: 75.46 kJ/mol; (20)Boiling Point: 488.5 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N)C(c1ccccc1)(c2ccccc2)[C@H]3CNCC3
(2)InChI: InChI=1/C18H20N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,19,21)/t16-/m1/s1
(3)InChIKey: IVJSBKKYHVODFT-MRXNPFEDBC
(4)Std. InChI: InChI=1S/C18H20N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,19,21)/t16-/m1/s1
(5)Std. InChIKey: IVJSBKKYHVODFT-MRXNPFEDSA-N

Product Name

3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine

Synthetic route

3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine Specification

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