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Cas Database |
| Name |
(R)-(-)-3-Chloro-1,2-propanediol |
EINECS | 435-560-9 |
| CAS No. | 57090-45-6 | Density | 1.303 g/cm3 |
| PSA | 40.46000 | LogP | -0.42160 |
| Solubility | soluble in water | Melting Point |
- 40 °C |
| Formula | C3H7ClO2 | Boiling Point | 213 °C at 760 mmHg |
| Molecular Weight | 110.54 | Flash Point | 113.3 °C |
| Transport Information | UN 2689 6.1/PG 3 | Appearance | clear light yellow liquid |
| Safety | 26-28-39-45-36/37/39 | Risk Codes | 25-41-68-62-36/37/38-23/25-21 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
1,2-Propanediol,3-chloro-, (R)-;(-)-3-Chloro-1,2-propanediol;(2R)-3-Chloro-1,2-propanediol;(R)-3-Chloro-1,2-propanediol;(R)-a-Chlorohydrin;R-3-chloro-1,2-propanediol; |
Article Data | 97 |
(R)-(-)-3-Chloro-1,2-propanediol Synthetic route
- 51594-55-9
(R)-(-)-epichlorohydrin
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
| Conditions | Yield |
|---|---|
| With (R)-2-chloropropionic acid In water at 80 - 90℃; for 15h; Reagent/catalyst; Temperature; | 95.57% |
| With (R,R)-Jacobsen catalyst; water In tetrahydrofuran at 4℃; for 24h; | 41% |
| Stage #1: With N,N'-bis(3,5-di-tert-butylsalicylidene)ethylenediaminocobalt(II); camphor-10-sulfonic acid; oxygen In tetrahydrofuran for 1h; Stage #2: (R)-(-)-epichlorohydrin With water In tetrahydrofuran at 20℃; for 20h; | 93.7 %Chromat. |
- 57044-24-3
(R)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 86% |
- 82954-65-2
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium chloride; sodium nitrite In water at 10 - 20℃; for 24h; Substitution; | 82% |
- 95589-30-3
(1S,2R,4R,4'R)-4'-Chloromethyl-4,7,7-trimethylbicyclo<2.2.1>heptane-2-spiro-2'-(1',3'-dioxolan)-3-one
A
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
B
- 95548-92-8, 95589-33-6
C13H21ClO3
C
- 95548-92-8, 95589-33-6
C13H21ClO3
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol | A 55% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With C72H102Co2F12N4O12P2; water at 0 - 20℃; for 3h; optical yield given as %ee; | A 45% B 53% |
| With water; (S,S)-(salen)cobalt(III)(OAc) at 0℃; for 19h; | A 46% B 45% |
| With C114H155Co3N8O14Pol; water; acetic acid at 20℃; for 3h; Resolution of racemate; optical yield given as %ee; enantioselective reaction; | A 46% B n/a |
- 106-89-8
epichlorohydrin
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran at 4℃; for 24h; | 50% |
| In tetrahydrofuran; water | |
| In tetrahydrofuran; water | |
| With Co(salen) macrocycles 1(OTs) at 20℃; for 0.333333h; optical yield given as %ee; enantioselective reaction; |
- 616-23-9
2,3-Dichloro-1-propanol
A
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
B
- 60827-45-4
(S)-3-chloropropan-1,2-diol
D
- 106-89-8
epichlorohydrin
| Conditions | Yield |
|---|---|
| With epoxide hydrolase from Agrobacterium radiobacter AD1; halohydrin dehalogenase from Agrobacterium radiobacter AD1; Tris-SO4 buffer In water at 30℃; for 20h; pH=7.5; kinetic resolution; Further byproducts given; | A n/a B n/a C 49.5% D n/a |
- 106-89-8
epichlorohydrin
A
- 67843-74-7
(S)-epichlorohydrin
B
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
C
- 60827-45-4
(S)-3-chloropropan-1,2-diol
| Conditions | Yield |
|---|---|
| With water; dimeric chiral (salen)Co complex linked with Al at 20℃; for 5h; Product distribution; Further Variations:; Catalysts; | A 46% B n/a C n/a |
| With water; Cr(III)-endo,endo-2,5-diaminonorbornane-salen In tetrahydrofuran at 20℃; for 42h; | A 46% B n/a C n/a |
| With chiral oligo-(salen)Co(OTs) complexes; lutidinium p-toluene sulfonate; water In dichloromethane; acetonitrile at 20℃; for 11h; | A 45% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With water at 20℃; for 8h; optical yield given as %ee; | A 45% B n/a |
- 106-89-8
epichlorohydrin
A
- 51594-55-9
(R)-(-)-epichlorohydrin
B
- 57090-45-6
(2R)-3-chloro-1,2-propanediol
C
- 60827-45-4
(S)-3-chloropropan-1,2-diol
| Conditions | Yield |
|---|---|
| With (S,S)-[N,N-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino]cobalt(III) acetate; water In tetrahydrofuran at 0 - 20℃; | A 43% B n/a C n/a |
| With (S,S)-(salen)Co(III)-OTs; water at 0 - 4℃; for 16h; | A 42.3% B n/a C n/a |
| With poly-salen-Co(III); water In tetrahydrofuran at 10℃; for 12h; | |
| With (S,S)-[N,N-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino]cobalt(III) acetate; water In tetrahydrofuran at 0 - 20℃; Title compound not separated from byproducts; |
(R)-(-)-3-Chloro-1,2-propanediol Specification
The (R)-3-Chloro-1,2-propanediol, with the CAS registry number 57090-45-6, is also known as 1,2-Propanediol, 3-chloro-, (R)-. It belongs to the product categories of Chiral Compounds; Diols; Chiral; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Chiral Compound. Its EINECS registry number is 435-560-9. This chemical's molecular formula is C3H7ClO2 and molecular weight is 110.54. Its IUPAC name is called (2R)-3-chloropropane-1,2-diol. This chemical is clear light yellow liquid. The product should be sealed and stored at 2-8 °C.
Physical properties of (R)-3-Chloro-1,2-propanediol: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): -0.76; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.21; (7)ACD/KOC (pH 7.4): 9.21; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 23.82 cm3; (13)Molar Volume: 84.8 cm3; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.303 g/cm3; (16)Flash Point: 113.3 °C; (17)Enthalpy of Vaporization: 52.26 kJ/mol; (18)Boiling Point: 213 °C at 760 mmHg; (19)Vapour Pressure: 0.0374 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is harmful in contact with skin. Besides, it is toxic if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CCl)O)O
(2)Isomeric SMILES: C([C@H](CCl)O)O
(3)InChI: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1
(4)InChIKey: SSZWWUDQMAHNAQ-VKHMYHEASA-N
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