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| CAS No.: | 813-99-0 |
|---|---|
| Name: | PENTAERYTHRITOL TRICHLOROHYDRIN |
| Molecular Structure: | |
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| Formula: | C5H9 Cl3 O |
| Molecular Weight: | 191.485 |
| Synonyms: | 2,2-Bis(chloromethyl)-3-chloro-1-propanol;2,2-Bis(chloromethyl)-3-chloropropanol; 3-Chloro-2,2-bis(chloromethyl)-1-propanol;NSC 405661; NSC 524090; Pentaerythritol trichloride; Pentaerythritoltrichlorohydrin; Pentaerythrityl trichlorohydrin |
| Density: | 1.341 g/cm3 |
| Boiling Point: | 316.8 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| PSA: | 20.23000 |
| LogP: | 1.68150 |

| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride at 65 - 130℃; for 22h; | 73% |
| With pyridine; thionyl chloride | 50% |
| With hydrogenchloride; formic acid; benzene at 160℃; |

Pentaerythritol

A

2,2-bis(chloromethyl)-1,3-propanediol

B

3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| With hydrogenchloride at 185℃; | |
| With pyridine; thionyl chloride anfangs unter Eiskuehlung,dann bei Siedetemperatur; |

acetic acid-(3-chloro-2,2-bis-chloromethyl-propyl ester)


3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With hydrogenchloride |

3-chloro-2,2-bis-chloromethyl-propionic acid methyl ester


3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |

| Conditions | Yield |
|---|---|
| With diethylaluminium chloride |

Pentaerythritol

A

2,2-bis(chloromethyl)-1,3-propanediol

B

pentaerythrityl tetrachloride

C

3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride for 14h; Heating; Yield given. Yields of byproduct given; |


Pentaerythritol

A

pentaerythrityl tetrachloride

B

3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride at 120 - 130℃; Yield given. Yields of byproduct given; | |
| With pyridine; thionyl chloride at 65 - 95℃; |

pyridine


thionyl chloride


Pentaerythritol

A

2,2-bis(chloromethyl)-1,3-propanediol

B

pentaerythrityl tetrachloride

C

3-chloro-(2,2-chloromethyl)propan-1-ol

| Conditions | Yield |
|---|---|
| anfangs unter Eiskuehlung, dann bei Siedetemperatur; |


3-chloro-(2,2-chloromethyl)propan-1-ol


allyl bromide


3-(3-chloro-2,2-bis-chloromethyl-propoxy)-propene

| Conditions | Yield |
|---|---|
| With potassium hydroxide In dimethyl sulfoxide at 60℃; | 82% |

| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 72h; Heating / reflux; | 80% |
| With potassium hydroxide In ethanol for 0.5h; Reflux; | 74% |
| With potassium hydroxide |