CAS No.22195-47-7,(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22195-47-7
Name:	(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
Article Data:	11

Formula:	C₆H₁₃NO₂
Molecular Weight:	131.175
Synonyms:	1,3-Dioxolane-4-methylamine,2,2-dimethyl- (8CI);((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)amine;(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine;1-(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine;2,2-Dimethyl-1,3-dioxolan-4-methanamine;2,2-Dimethyl-1,3-dioxolane-4-methanamine;2,2-Dimethyl-1,3-dioxolane-4-methylamine;3-Amino-1,2-propanediol acetonide;4-Aminomethyl-2,2-dimethyl-1,3-dioxolane;
Density:	0.979 g/cm³
Boiling Point:	168.8 °C at 760 mmHg
Flash Point:	57.6 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-36/37/39-45
PSA:	44.48000
LogP:	0.79690

Synthetic route

: 25261-56-7
4-(azidomethyl)-2,2‑dimethyl-1,3-dioxolane

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
With sodium sulfide In methanol at 55℃; for 24h;	93%
With hydrazine hydrate In ethanol at 20℃; chemoselective reaction;	90%
With 15% palladium on carbon; hydrogen In methanol at 20℃; for 24h;	83%
With palladium 10% on activated carbon; hydrogen In methanol	5.8 g

: 40137-25-5
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-isoindole-1,3(2H)-dione

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
With hydrazine hydrate In methanol Heating;	90%

: 4362-40-7
5-chloromethyl-2,2-dimethyl-1,3-dioxolane

A: 52813-61-3
bis((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)amine

B: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
With ammonia at 140℃;

: 4-azidomethyl-2,2-dimethyl-[1,3]dioxolane

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol for 8h; Yield given;

: 756477-96-0
(E,Z)-(R)-2,3-O-isopropylidene-glyceraldoxime

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 5h; Ambient temperature;

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 88 percent / triphenylphosphine; diisopropyl azodicarboxylate / tetrahydrofuran / 20 h / 20 °C 2: 90 percent / hydrazine monohydrate / methanol / Heating View Scheme
Multi-step reaction with 3 steps 1: 96 percent / Et3N / CH2Cl2 / 15 h / Ambient temperature 2: 93 percent / aq. NaN3 / dimethylformamide / 6 h / 110 °C 3: 93 percent / aq. Na2S / methanol / 24 h / 55 °C View Scheme
With ammonia; hydrogen at 200℃; under 90009 Torr; Temperature; Reagent/catalyst;

: (R)-1-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-butane-1,2,3,4-tetraol

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. NaIO4 / tetrahydrofuran / 2 h / 0 °C 2: NH2OH*HCl, Et3N / tetrahydrofuran; methanol / 5 h / 10 °C 3: LiAlH4 / tetrahydrofuran / 5 h / Ambient temperature View Scheme
Multi-step reaction with 5 steps 1: aq. NaIO4 / tetrahydrofuran / 2 h / 0 °C 2: NaBH4 / ethyl acetate; ethanol / 2.5 h / Ambient temperature 3: 80.3 percent / pyridine / Ambient temperature 4: NaN3 / dimethylsulfoxide / 1.17 h / 100 °C 5: H2 / 5percent Pd/C / methanol / 8 h View Scheme

: Sodium; (R)-4-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,3,4-trihydroxy-butyrate

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Pb(OAc)4 / ethyl acetate / 3.5 h / 0 - 20 °C 2: NH2OH*HCl, Et3N / tetrahydrofuran; methanol / 5 h / 10 °C 3: LiAlH4 / tetrahydrofuran / 5 h / Ambient temperature View Scheme
Multi-step reaction with 5 steps 1: Pb(OAc)4 / ethyl acetate / 3.5 h / 0 - 20 °C 2: NaBH4 / ethyl acetate; ethanol / 2.5 h / Ambient temperature 3: 80.3 percent / pyridine / Ambient temperature 4: NaN3 / dimethylsulfoxide / 1.17 h / 100 °C 5: H2 / 5percent Pd/C / methanol / 8 h View Scheme

: 14347-78-5
1,2-O-isopropylidene-D-glycerol

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 80.3 percent / pyridine / Ambient temperature 2: NaN3 / dimethylsulfoxide / 1.17 h / 100 °C 3: H2 / 5percent Pd/C / methanol / 8 h View Scheme

: 22323-80-4
(4S)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde

: 22195-47-7
2,2-dimethyl-1,3-dioxolane-4-methanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NH2OH*HCl, Et3N / tetrahydrofuran; methanol / 5 h / 10 °C 2: LiAlH4 / tetrahydrofuran / 5 h / Ambient temperature View Scheme
Multi-step reaction with 4 steps 1: NaBH4 / ethyl acetate; ethanol / 2.5 h / Ambient temperature 2: 80.3 percent / pyridine / Ambient temperature 3: NaN3 / dimethylsulfoxide / 1.17 h / 100 °C 4: H2 / 5percent Pd/C / methanol / 8 h View Scheme

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Specification

The 1,3-Dioxolane-4-methanamine,2,2-dimethyl-, with CAS registry number 22195-47-7, belongs to the following product categories: (1)Heterocyclic Building Blocks; (2)O-Containing; (3)Others. It has the systematic name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine. And the chemical formula of this chemical is C₆H₁₃NO₂.

Physical properties of 1,3-Dioxolane-4-methanamine,2,2-dimethyl-: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 34.59 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 13.71×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 57.6 °C; (20)Enthalpy of Vaporization: 40.53 kJ/mol; (21)Boiling Point: 168.8 °C at 760 mmHg; (22)Vapour Pressure: 1.59 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-Azidomethyl-2,2-dimethyl-1,3-dioxolan. This reaction will need reagent aq. Na₂S and solvent methanol. The reaction time is 24 hour(s) with reaction temperature of 55 ℃. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
The 1,3-Dioxolane-4-methanamine,2,2-dimethyl- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OC[C@@H]1CN)(C)C
(2)InChI: InChI=1/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3/t5-/m0/s1
(3)InChIKey: HXOYWCSTHVTLOW-YFKPBYRVBS
(4)Std. InChI: InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3/t5-/m0/s1
(5)Std. InChIKey: HXOYWCSTHVTLOW-YFKPBYRVSA-N